Basic information
- Standard SMILES
NC(CC(=O)O)C(=O)O- InChIKey
CKLJMWTZIZZHCS-UHFFFAOYSA-N- Molecular formula
- C4H7NO4
- Average molar mass
- 133.1 g/mol
- Monoisotopic mass
- 133.0375077
Overview
Aspartic acid is an alpha-amino acid that consists of succinic acid bearing a single alpha-amino substituent. It has a role as a fundamental metabolite. It is a polar amino acid, an alpha-amino acid and a C4-dicarboxylic acid. It contains a carboxymethyl group. It is a conjugate acid of an aspartate and an aspartate(1-).
Names & identifiers
- Preferred name
- (+-)-Aspartic Acid
- IUPAC
- 2-aminobutanedioic acid
Names & synonyms
(+-)-Aspartic acidRefChem:905505DL-ASPARTIC ACID617-45-82-aminobutanedioic acidDL-Aminosuccinic acidDL-Asparagic acidAspartic acid, DL-DL-Asp-OHAcid D,L-aspartH-DL-Asp-OH(+/-)-2-Aminosuccinic acid
Show more names
(+/-)-Aspartic AcidDL-ASPARTIC ACID (3-13C)L-ASPARTIC-4-13C ACIDD-Asparagic acid28XF4669EPNSC620336NSC-141379Butanedioic acid, (S)-
Database identifiers
- CAS
1783-96-6、56-84-8、617-45-8- PubChem CID
- 424
- DTXSID
DTXSID30859003- ChEBI
CHEBI:22660- UNII
- 28XF4669EP
- EC Number
- 210-513-3
- Nikkaji
- J1.278E
Properties
Computed structural properties
- XLogP
- -2.8
- Topological polar surface area
- 101 Ų
- Hydrogen bond donors
- 3
- Hydrogen bond acceptors
- 5
- Rotatable bonds
- 3
- Heavy atoms
- 9
- Formal charge
- 0
- Complexity
- 133
Experimental & physicochemical properties
Chemical ClassesBiological Agents -> Amino Acids and Derivatives
DrugsPharmaceuticals
Physical DescriptionSolid; [Sigma-Aldrich MSDS]
Safety & regulation
GHS classification
GHS Classification
This chemical does not meet GHS hazard criteria for 97.9% (138 of 141) of all reports.
Not Classified
Aggregated GHS information provided per 141 reports by companies from 2 notifications to the ECHA C&L Inventory.
Hazard information
Regulatory Information
Chemical: DL-Aspartic acid
Status: Active Update: 24-06-2020 https://echa.europa.eu/registration-dossier/-/registered-dossier/5880
Other Safety InformationIMAP assessments - DL-Aspartic acid: Environment tier I assessment
Hazards SummaryMay cause irritation; [Sigma-Aldrich MSDS] See Aspartic acid.
Hazard Classes and CategoriesNot Classified
Chemistry & industry
Uses & manufacturing
Use ClassificationFlavouring Agent -> FLAVOURING_AGENT -> JECFA Functional Classes
Related reactions
31 records
Linked notes
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