Basic information
- CAS
2792-66-7- Standard SMILES
CC(N)(CC(=O)O)C(=O)O- InChIKey
CWAYDJFPMMUKOI-UHFFFAOYSA-N- Molecular formula
- C5H9NO4
- Average molar mass
- 147.13 g/mol
- Monoisotopic mass
- 147.05315777
Overview
RN given refers to cpd without isomeric designation
Names & identifiers
- Preferred name
- 2-Methylaspartic acid
- IUPAC
- 2-amino-2-methylbutanedioic acid
- English name
- 2-AMINO-2-METHYLSUCCINIC ACID
- Molecular formula
- C5H9NO4
- Molecular weight
- 147.13
Names & synonyms
2792-66-72-Methyl-DL-aspartic acid2-Methylaspartic acid70W4HTK6W3UNII-70W4HTK6W3NSC 153559866-73-9dl-2-Amino-2-methylsuccinic acid hydrateRefChem:88254CWAYDJFPMMUKOI-UHFFFAOYSA-N2-Amino-2-methylsuccinic acidalpha-Methyl-DL-aspartic acid
Show more names
α-Me-DL-Asp-OHH-DL-α-Me-Asp-OHAspartic acid, 2-methyl-Alpha Methyl-DL-Aspartateα-Methyl-DL-aspartic acidA-methyl-dl-aspartic acid2-amino-2-methylbutanedioicaci
2-amino-2-methylbutanedioic acidDL-alpha-Methylaspartic acidDL-Aspartic acid, 2-methyl-NSC-153559alpha-Methyl-DL-aspartateDL-2-Methylaspartic acidAspartic acid, 2-methyl-, DL-alpha-methylaspartic acid
Database identifiers
- CAS
2792-66-7、3227-17-6、866-73-9- PubChem CID
- 2109
- DTXSID
DTXSID801356856
Properties
Computed structural properties
- XLogP
- -3.7
- Topological polar surface area
- 101 Ų
- Hydrogen bond donors
- 3
- Hydrogen bond acceptors
- 5
- Rotatable bonds
- 3
- Heavy atoms
- 10
- Formal charge
- 0
- Complexity
- 167
Physicochemical properties
- Melting point
- 234 · 234-237 °C (decomp)
- Boiling point
- 259.2 · 259.2±30.0 °C(Predicted)
- Density
- 1.414 · 1.414±0.06 g/cm3(Predicted)
- pka
- 2.32 · 2.32±0.28(Predicted)
- form
- Solid
- color
- White to off-white
- CAS DataBase Reference
- 2792 · 2792-66-7
- FDA UNII
- 70 W4HTK6W3 · 70W4HTK6W3
- WGK Germany
- 3 · 3
Safety & regulation
Safety information is for reference only and does not replace the supplier’s Safety Data Sheet (SDS), applicable regulations, or professional assessment.
Safety data
- wgk
- 3
Chemistry & industry
Applications
Usesα-Methyl-DL-aspartic acid is a specific inhibitor of argininosuccinate synthase (ASS), and also is the rate-limiting enzyme for the recycling of 1-citrulline to 1-arginine[1].
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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