Basic information
- CAS
121570-10-3- Standard SMILES
C[C@H](C(=O)O)[C@@H](N)C(=O)O- InChIKey
LXRUAYBIUSUULX-STHAYSLISA-N- Molecular formula
- C5H9NO4
- Average molar mass
- 147.13 g/mol
Overview
DL-threo-beta-Methylaspartate is a D-alpha-amino acid.
Names & identifiers
- Preferred name
- (2R,3S)-2-amino-3-methylbutanedioic acid
- IUPAC
- (2R,3S)-2-amino-3-methylbutanedioic acid
- English name
- (3S)-3-Methyl-D-aspartic acid
- Molecular formula
- C5H9NO4
- Molecular weight
- 147.13
Names & synonyms
(2R,3S)-2-amino-3-methylbutanedioic acid(3S)-3-Methyl-D-aspartic acid3-METHYL-ASPARTIC ACID121570-10-3(2R,3S)-2-AMINO-3-METHYLSUCCINIC ACID3-methyl-beta-D-aspartic acid1114-07-4JVW3X5Z42K3-Methyl-D-aspartic acid, (3S)-D-Aspartic acid, 3-methyl-, (3S)-D-Aspartic acid, 3-methyl-, erythro-(3S)-rel-3-Methyl-D-aspartic acid
Show more names
(2S,3R)-2-Amino-3-methylsuccinic acid
D-METHYL ASPARTIC ACID(2R,3S)-2-AMINO-3-METHYLSUCCINICACIDUNII-JVW3X5Z42KDL-threo-beta-MethylaspartateSCHEMBL4330500(2r,3s)-3-methylaspartic acidCHEBI:194704DB04313
Database identifiers
- CAS
121570-10-3- PubChem CID
- 5287600
- ChEBI
CHEBI:194704- UNII
- JVW3X5Z42K
- Nikkaji
- J748.994C
Properties
Computed structural properties
- XLogP
- -3.3
- Topological polar surface area
- 101 Ų
- Hydrogen bond donors
- 3
- Hydrogen bond acceptors
- 5
- Rotatable bonds
- 3
- Heavy atoms
- 10
- Formal charge
- 0
- Complexity
- 156
Experimental & physicochemical properties
DrugsPharmaceuticals -> Listed in ZINC15
Physicochemical properties
- Boiling point
- 259 · 259 ºC
- Density
- 1.404 · 1.404
- Flash point
- 111 · 111 ºC
- pka
- 2.31 · 2.31±0.27(Predicted)
- FDA UNII
- 3 X5Z42K · JVW3X5Z42K
Chemistry & industry
Suppliers2 total
Nextpeptide Inc+86-0571-81612335 +8613336028439 · [email protected]
重庆卡兰医药有限公司[email protected]
Additional notes
DefinitionChEBI: DL-threo-beta-Methylaspartate is a D-alpha-amino acid.
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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