Aspartic acid beta-methyl ester
Properties
- Molecular formula
- C5H9NO4
- Molar mass
- 147.13 g/mol
- Exact mass
- 147.0532 Da
- Melting point
- 193–195 °C
- logP
- -1.04Crippen estimate
- Polar surface area
- 89.6 Ų
- H-bond donors / acceptors
- 2 / 4
- Rotatable bonds
- 3
- Stereocentres
- Sin SMILES atom order
Hazards
No GHS classification is on file for this compound. That is not evidence that it is harmless.
Identifiers
CAS number
2177-62-0SMILES
COC(=O)C[C@H](N)C(=O)OInChIKey
SBRYFUVVWOMLLP-VKHMYHEASA-NInChI
InChI=1S/C5H9NO4/c1-10-4(7)2-3(6)5(8)9/h3H,2,6H2,1H3,(H,8,9)/t3-/m0/s1Weigh it out
Type any one amount. The others follow from the molar mass.
Names and synonyms
10 names
- Aspartic acid β-methyl ester
- L-Aspartic acid, 4-methyl ester
- Aspartic acid, 4-methyl ester, L-
- L-Aspartic acid β-methyl ester
- β-L-Aspartyl methyl ester
- β-Methyl aspartate
- (S)-2-Aminobutanedioic acid 4-methyl ester
- 4-Methyl L-aspartate
- β-Methyl L-aspartate
- (S)-2-Amino-4-methoxy-4-oxobutanoic acid
Work with Aspartic acid beta-methyl ester
Stereoisomers, salts and isotopologues
The same compound in another form: other stereochemistry, a salt or hydrate, the free acid or base, or an isotope-labelled version.
Similar compounds
5-Methyl hydrogen L-glutamate1499-55-470 % similar
4-tert-Butyl hydrogen L-aspartate3057-74-763 % similar
(2R)-2-Amino-4-(tert-butoxy)-4-oxobutanoic acid64960-75-463 % similar
Dimethyl aspartate hydrochloride32213-95-957 % similar
D-Aspartic acid dimethyl ester hydrochloride69630-50-857 % similar
Dl-O-methylserine19794-53-755 % similar
(S)-2-Amino-3-methoxypropanoic acid32620-11-455 % similar
D-Aspartic acid1783-96-653 % similar
Tanimoto similarity of circular fingerprints over the whole catalogue.