(3S)-3-Amino-4-methoxy-4-oxobutanoic acid
Properties
- Molecular formula
- C5H9NO4
- Molar mass
- 147.13 g/mol
- Exact mass
- 147.0532 Da
- Melting point
- 167 °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
17812-32-7SMILES
COC(=O)[C@@H](N)CC(=O)OInChIKey
SWWBMHIMADRNIK-VKHMYHEASA-NInChI
InChI=1S/C5H9NO4/c1-10-5(9)3(6)2-4(7)8/h3H,2,6H2,1H3,(H,7,8)/t3-/m0/s1Weigh it out
Type any one amount. The others follow from the molar mass.
Names and synonyms
4 names
- Methyl L-aspartate
- L-Aspartic acid, 1-methyl ester
- Aspartic acid, 1-methyl ester, L-
- Aspartic acid α-methyl ester
Work with (3S)-3-Amino-4-methoxy-4-oxobutanoic acid
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
H-Glu-ome6384-08-370 % similar
H-Asp-otbu4125-93-363 % similar
Methyl L-asparaginate hydrochloride57461-34-459 % similar
Dimethyl aspartate hydrochloride32213-95-957 % similar
D-Aspartic acid dimethyl ester hydrochloride69630-50-857 % similar
Methyl DL-serinate hydrochloride5619-04-554 % similar
Serine methyl ester hydrochloride5680-80-854 % similar
Methyl D-serinate hydrochloride5874-57-754 % similar
Tanimoto similarity of circular fingerprints over the whole catalogue.