Home > Compound List > Compound details
87178-63-0 molecular structure
click picture or here to close

1-(2-amino-4-methylpentanoyl)pyrrolidine-2-carboxylic acid hydrochloride

ChemBase ID: 104241
Molecular Formular: C11H21ClN2O3
Molecular Mass: 264.74904
Monoisotopic Mass: 264.12407022
SMILES and InChIs

SMILES:
Cl.CC(C)CC(N)C(=O)N1CCCC1C(=O)O
Canonical SMILES:
CC(CC(C(=O)N1CCCC1C(=O)O)N)C.Cl
InChI:
InChI=1S/C11H20N2O3.ClH/c1-7(2)6-8(12)10(14)13-5-3-4-9(13)11(15)16;/h7-9H,3-6,12H2,1-2H3,(H,15,16);1H
InChIKey:
GZEPUBCBTCSTKP-UHFFFAOYSA-N

Cite this record

CBID:104241 http://www.chembase.cn/molecule-104241.html

Collapse All Expand All

NAMES AND DATABASE IDS

NAMES AND DATABASE IDS

Names Database IDs
IUPAC name
1-(2-amino-4-methylpentanoyl)pyrrolidine-2-carboxylic acid hydrochloride
IUPAC Traditional name
leu-pro hydrochloride
Synonyms
LEU-PRO
Leu-Pro hydrochloride
CAS Number
87178-63-0
MDL Number
MFCD00039011
PubChem SID
24896503
162091024
PubChem CID
16219595

DATA SOURCES

DATA SOURCES

All Sources Commercial Sources Non-commercial Sources
Data Source Data ID
PubChem 16219595 external link

CALCULATED PROPERTIES

CALCULATED PROPERTIES

JChem
Acid pKa 3.9154751  H Acceptors
H Donor LogD (pH = 5.5) -1.8583293 
LogD (pH = 7.4) -1.885646  Log P -1.8530816 
Molar Refractivity 59.1574 cm3 Polarizability 23.549238 Å3
Polar Surface Area 83.63 Å2 Rotatable Bonds
Lipinski's Rule of Five true 

PROPERTIES

PROPERTIES

Safety Information Product Information Bioassay(PubChem)
Storage Condition
0°C expand Show data source
MSDS Link
Download expand Show data source
German water hazard class
3 expand Show data source
Personal Protective Equipment
Eyeshields, Gloves, type N95 (US), type P1 (EN143) respirator filter expand Show data source
Storage Temperature
-20°C expand Show data source
Certificate of Analysis
Download expand Show data source

DETAILS

DETAILS

MP Biomedicals MP Biomedicals
MP Biomedicals - 02155220 external link
Hydrochloride Crystalline

REFERENCES

REFERENCES

From Suppliers Google Scholar IconGoogle Scholar PubMed iconPubMed Google Books IconGoogle Books
    No data available
  • Searching...Please wait...

PATENTS

PATENTS

PubChem iconPubChem Patent Google Patent Search IconGoogle Patent

INTERNET

INTERNET

Baidu iconBaidu google iconGoogle