Home > Compound List > Compound details
84000-07-7 molecular structure
click picture or here to close

(2S)-2-{[(9H-fluoren-9-ylmethoxy)carbonyl](methyl)amino}propanoic acid

ChemBase ID: 39547
Molecular Formular: C19H19NO4
Molecular Mass: 325.35846
Monoisotopic Mass: 325.13140809
SMILES and InChIs

SMILES:
N([C@@H](C)C(=O)O)(C)C(=O)OCC1c2c(c3c1cccc3)cccc2
Canonical SMILES:
OC(=O)[C@@H](N(C(=O)OCC1c2ccccc2c2c1cccc2)C)C
InChI:
InChI=1S/C19H19NO4/c1-12(18(21)22)20(2)19(23)24-11-17-15-9-5-3-7-13(15)14-8-4-6-10-16(14)17/h3-10,12,17H,11H2,1-2H3,(H,21,22)/t12-/m0/s1
InChIKey:
JOFHWKQIQLPZTC-LBPRGKRZSA-N

Cite this record

CBID:39547 http://www.chembase.cn/molecule-39547.html

Collapse All Expand All

NAMES AND DATABASE IDS

NAMES AND DATABASE IDS

Names Database IDs
IUPAC name
(2S)-2-{[(9H-fluoren-9-ylmethoxy)carbonyl](methyl)amino}propanoic acid
IUPAC Traditional name
(2S)-2-{[(9H-fluoren-9-ylmethoxy)carbonyl](methyl)amino}propanoic acid
Synonyms
Fmoc-N-methyl-L-alanine
Fmoc-N-Me-Ala-OH
Fmoc-Nalpha-methyl-L-alanine
(S)-2-((((9H-Fluoren-9-yl)methoxy)carbonyl)(methyl)amino)propanoic acid
Fmoc-N-甲基-L-丙氨酸
CAS Number
84000-07-7
MDL Number
MFCD00153384
Beilstein Number
4329998
PubChem SID
24871188
161002854
PubChem CID
688634

DATA SOURCES

DATA SOURCES

All Sources Commercial Sources Non-commercial Sources
Data Source Data ID
PubChem 688634 external link

CALCULATED PROPERTIES

CALCULATED PROPERTIES

JChem
Acid pKa 3.8023465  H Acceptors
H Donor LogD (pH = 5.5) 1.5690639 
LogD (pH = 7.4) 0.0076897517  Log P 3.2689931 
Molar Refractivity 89.4738 cm3 Polarizability 35.835766 Å3
Polar Surface Area 66.84 Å2 Rotatable Bonds
Lipinski's Rule of Five true 

PROPERTIES

PROPERTIES

Physical Property Safety Information Product Information Bioassay(PubChem)
Optical Rotation
[α]20/D -18.5±1°, c = 1% in DMF expand Show data source
Storage Warning
IRRITANT expand Show data source
MSDS Link
Download expand Show data source
Download expand Show data source
German water hazard class
3 expand Show data source
TSCA Listed
false 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
Purity
≥97.0% (sum of enantiomers, HPLC) expand Show data source
95+% expand Show data source
Empirical Formula (Hill Notation)
C19H19NO4 expand Show data source

DETAILS

DETAILS

Sigma Aldrich Sigma Aldrich
Sigma Aldrich - 47594 external link
Packaging
1 g in poly bottle

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