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61-90-5 molecular structure
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(2S)-2-amino-4-methylpentanoic acid

ChemBase ID: 35
Molecular Formular: C6H13NO2
Molecular Mass: 131.17292
Monoisotopic Mass: 131.09462866
SMILES and InChIs

SMILES:
OC(=O)[C@@H](N)CC(C)C
Canonical SMILES:
N[C@H](C(=O)O)CC(C)C
InChI:
InChI=1S/C6H13NO2/c1-4(2)3-5(7)6(8)9/h4-5H,3,7H2,1-2H3,(H,8,9)/t5-/m0/s1
InChIKey:
ROHFNLRQFUQHCH-YFKPBYRVSA-N

Cite this record

CBID:35 http://www.chembase.cn/molecule-35.html

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NAMES AND DATABASE IDS

NAMES AND DATABASE IDS

Names Database IDs
IUPAC name
(2S)-2-amino-4-methylpentanoic acid
IUPAC Traditional name
L-leucine
Synonyms
(2S)-2-Amino-4-methylpentanoic acid
(S)-(+)-Leucine
(S)-2-Amino-4-methylpentanoic acid
(S)-2-Amino-4-methylvaleric acid
(S)-Leucine
1-Leucine
2-Amino-4-methylpentanoic acid
2-Amino-4-methylvaleric acid
alpha-Amino-gamma-methylvaleric acid
alpha-Aminoisocaproic acid
L-(+)-Leucine
L-(-)-2-Amino-4-methylpentanoic acid
L-a-Aminoisocaproic acid
Leu
Leucine
Leucin
L-Leucine
Leucine
L-Leucine
LEUCINE, U.S.P.
L-2-Amino-4-methylpentanoic acid
Leucinum
H-Leu-OH
(S)-2-氨基-4-甲基戊酸
亮氨酸
L-亮氨酸
CAS Number
61-90-5
EC Number
200-522-0
MDL Number
MFCD00002617
Beilstein Number
1721722
Merck Index
145451
PubChem SID
24874858
24886442
24896488
24896510
24901619
24896388
160963498
PubChem CID
6106
CHEBI ID
57427
CHEMBL
291962
Chemspider ID
5880
DrugBank ID
DB01746
FEMA ID
3297
KEGG ID
D00030
Unique Ingredient Identifier
GMW67QNF9C
Wikipedia Title
Leucine
Council of Europe Number
10482
Flavis Number
17.012
E Number
E641

CALCULATED PROPERTIES

CALCULATED PROPERTIES

JChem ALOGPS 2.1
Acid pKa 2.787709  H Acceptors
H Donor LogD (pH = 5.5) -1.58655 
LogD (pH = 7.4) -1.5889318  Log P -1.5861572 
Molar Refractivity 34.1709 cm3 Polarizability 13.835553 Å3
Polar Surface Area 63.32 Å2 Rotatable Bonds
Lipinski's Rule of Five true 
Log P -1.82  LOG S -0.27 
Solubility (Water) 6.98e+01 g/l 

PROPERTIES

PROPERTIES

Physical Property Safety Information Product Information Bioassay(PubChem)
Solubility
1 M HCl: soluble0.1 M at 20 °C, clear, colorless expand Show data source
1 M HCl: soluble50 mg/mL expand Show data source
slight expand Show data source
Apperance
powder expand Show data source
Melting Point
>300 °C(lit.) expand Show data source
>300°C expand Show data source
295°C expand Show data source
Density
1.293 expand Show data source
1.293 g/ml expand Show data source
Optical Rotation
[α]20/D +15.5±0.5°, c = 5% in 5 M HCl expand Show data source
[α]20/D +15.5±1.0°, c = 5% in 5 M HCl expand Show data source
[α]20/D +15.5°, c = 2 in 6 M HCl expand Show data source
[α]25/D +15.5°, c = 4 in 6 M HCl expand Show data source
+15 (c=2 in 5N HCl) expand Show data source
Absorption Wavelength
λ: 260 nm Amax: 0.05 expand Show data source
λ: 280 nm Amax: 0.05 expand Show data source
Hydrophobicity(logP)
-1.4 expand Show data source
pKa
2.36 (carboxyl), 9.60 (amino) expand Show data source
Storage Condition
Room Temperature (15-30°C) expand Show data source
RTECS
OH2850000 expand Show data source
MSDS Link
Download expand Show data source
Download expand Show data source
Download expand Show data source
Download expand Show data source
Download expand Show data source
Download expand Show data source
Download expand Show data source
Download expand Show data source
Download expand Show data source
Download expand Show data source
Download expand Show data source
German water hazard class
1 expand Show data source
TSCA Listed
expand Show data source
Personal Protective Equipment
Eyeshields, Gloves, type N95 (US), type P1 (EN143) respirator filter expand Show data source
Storage Temperature
2-8°C expand Show data source
Regulation Compliance
FCC expand Show data source
FDA 21 CFR (172.320) expand Show data source
FDA 21 CFR (172.804) expand Show data source
Purity
≥98% (TLC) expand Show data source
≥98.5% expand Show data source
≥99.0% expand Show data source
≥99.0% (NT) expand Show data source
≥99.5% (NT) expand Show data source
97% expand Show data source
98% expand Show data source
98.5-101.0% expand Show data source
99% expand Show data source
Grade
certified reference material expand Show data source
EP expand Show data source
JP expand Show data source
Kosher expand Show data source
NI expand Show data source
Ph Eur expand Show data source
reagent grade expand Show data source
SAJ special grade expand Show data source
TraceCERT® expand Show data source
USP expand Show data source
Optical Purity
ee: ≥97% (GLC) expand Show data source
Certificate of Analysis
Download expand Show data source
Download expand Show data source
Download expand Show data source
Packaging
pkg of 1 g expand Show data source
Suitability
cell culture tested expand Show data source
meets EP, JP, USP testing specifications expand Show data source
suitable for cell culture expand Show data source
suitable for manufacturing use expand Show data source
Ignition Residue
≤0.1% expand Show data source
≤0.1% (as SO4) expand Show data source
Impurities
≤0.3% foreign amino acids expand Show data source
endotoxin, tested expand Show data source
insoluble matter, passes filter test expand Show data source
isoleucine and methionine, essentially free expand Show data source
Cation Traces
Al: ≤5 mg/kg expand Show data source
As: ≤0.1 mg/kg expand Show data source
Ba: ≤5 mg/kg expand Show data source
Bi: ≤5 mg/kg expand Show data source
Ca: ≤10 mg/kg expand Show data source
Cd: ≤5 mg/kg expand Show data source
Co: ≤5 mg/kg expand Show data source
Cr: ≤5 mg/kg expand Show data source
Cu: ≤5 mg/kg expand Show data source
Fe: ≤5 mg/kg expand Show data source
K: ≤50 mg/kg expand Show data source
Li: ≤5 mg/kg expand Show data source
Mg: ≤5 mg/kg expand Show data source
Mn: ≤5 mg/kg expand Show data source
Mo: ≤5 mg/kg expand Show data source
Na: ≤100 mg/kg expand Show data source
NH4+: ≤100 mg/kg expand Show data source
Ni: ≤5 mg/kg expand Show data source
Pb: ≤5 mg/kg expand Show data source
Sr: ≤5 mg/kg expand Show data source
Zn: ≤5 mg/kg expand Show data source
Antion Traces
chloride (Cl-): ≤200 mg/kg expand Show data source
sulfate (SO42-): ≤100 mg/kg expand Show data source
Biological Source
from non-animal source expand Show data source
Loss on Drying
≤0.1% loss on drying, 110 °C expand Show data source
≤0.1% loss on drying, 20 °C (HV) expand Show data source
Quality Level
GMP-COMPENDIA expand Show data source
PREMIUM expand Show data source
λ
0.1 M in 1 M HCl expand Show data source
Pharmacopeia
testing & handling conforms to Pharmacopeia expand Show data source
Product Line
BioUltra expand Show data source
Pharmacopeia Traceability
traceable to PhEur L0375000 expand Show data source
traceable to USP 1357001 expand Show data source
Linear Formula
(CH3)2CHCH2CH(NH2)CO2H expand Show data source

DETAILS

DETAILS

DrugBank DrugBank MP Biomedicals MP Biomedicals Wikipedia Wikipedia Sigma Aldrich Sigma Aldrich
DrugBank - DB00149 external link
Item Information
Drug Groups approved; nutraceutical
Description An essential branched-chain amino acid important for hemoglobin formation. [PubChem]
Indication Indicated to assist in the prevention of the breakdown of muscle proteins that sometimes occur after trauma or severe stress.
Pharmacology An essential amino acid. (Claim) Leucine helps with the regulation of blood-sugar levels, the growth and repair of muscle tissue (such as bones, skin and muscles), growth hormone production, wound healing as well as energy regulation. It can assist to prevent the breakdown of muscle proteins that sometimes occur after trauma or severe stress. It may also be beneficial for individuals with phenylketonuria - a condition in which the body cannot metabolize the amino acid phenylalanine
Affected Organisms
Humans and other mammals
External Links
Wikipedia
PDRhealth
MP Biomedicals - 02194694 external link
Cell Culture Reagent
Crystalline
Substantially free of isoleucine and methionine
MP Biomedicals - 02102158 external link
Crystalline
Substantially free of isoleucine and methionine
Sigma Aldrich - L6914 external link
Packaging
Manufactured and Packaged under cGMP
Sigma Aldrich - 61819 external link
Other Notes
As spacer in isotachophoresis of serum proteins1,2; Growth requirement of various microorganisms3
Sigma Aldrich - L8000 external link
包装
1 kg in poly bottle
25, 50, 100, 250 g in poly bottle
Sigma Aldrich - W329703 external link
Packaging
1 kg in poly bottle
1 sample in glass bottle
100 g in poly bottle
5 kg in fiber drum
Sigma Aldrich - L8912 external link
包装
10 mg in autosmp vl
Sigma Aldrich - 76526 external link
Analysis Note
This certified reference material (CRM) is produced and certified in accordance with ISO/IEC 17025 and ISO Guide 34. This CRM is traceable to NIST SRM.
General description
Certified content by quantitative NMR incl. uncertainty and expiry are given in the certificate.Download your certificate at: http://www.sigma-aldrich.com.
Legal Information
TraceCERT is a registered trademark of Sigma-Aldrich Co. LLC
Sigma Aldrich - PHR1105 external link
General description
This certified reference material (CRM) is produced and certified in accordance with ISO/IEC 17025 and ISO Guide 34.
Other Notes
Values of analytes vary lot to lot.

REFERENCES

REFERENCES

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PATENTS

PATENTS

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