N-formyl-L-aspartic acid

HCID 88052
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Basic information

CAS
19427-28-2
Standard SMILES
O=CN[C@@H](CC(=O)O)C(=O)O
InChIKey
MQUUQXIFCBBFDP-VKHMYHEASA-N
Molecular formula
C5H7NO5
Average molar mass
161.11 g/mol
Monoisotopic mass
161.03242232

Overview

N-formyl-L-aspartic acid is a N-formyl amino acid that is the N-formyl-derivative of L-aspartic acid. It has a role as a mouse metabolite. It is a N-acyl-L-aspartic acid and a N-formyl amino acid. It is a conjugate acid of a N-formyl-L-aspartate(2-).

Names & identifiers

Preferred name
N-formyl-L-aspartic acid
IUPAC
(2S)-2-formamidobutanedioic acid
English name
N-Formyl-L-aspartic acid
Molecular formula
C5H7NO5
Molecular weight
161.11

Names & synonyms

N-Formyl-L-aspartic acid19427-28-2(2S)-2-formamidobutanedioic acidN-Formyl-L-aspartateCHEBI:48429RefChem:1091808(2S)-2-(formylamino)butanedioic acid;N-formyl-L-aspartic acid243-047-4(S)-2-Formamidosuccinic acidformyl-L-aspartic acid(2S)-2-(formylamino)butanedioic acidN-Formylaspartate
Show more names
FOR-ASP-OHN-FORMYL-ASP-OHN-Formyl-AsparticN-Formyl-L-Asp-OHN-formyl-L-asparticaciAsparagine Impurity 31L-Aspartic acid, N-formyl-(2S)-2-formamidobutanedioate
EINECS 243-047-4N-formyl L-aspartic acidAspartic acid, N-formyl-C01044SCHEMBL6746101Aspartic acid, N-formyl-, L-DTXSID30941154N-(Hydroxymethylidene)aspartic acid

Database identifiers

CAS
19427-28-2
PubChem CID
88052
DTXSID
DTXSID30941154
ChEBI
CHEBI:48429
EC Number
243-047-4
Nikkaji
J242.809A

Properties

Computed structural properties

XLogP
-1.3
Topological polar surface area
104 Ų
Hydrogen bond donors
3
Hydrogen bond acceptors
5
Rotatable bonds
4
Heavy atoms
11

Physicochemical properties

Melting point
127.5 · 127.5-128 °C
Boiling point
430.2 · 430.2±35.0 °C(Predicted)
Density
1.508 · 1.508±0.06 g/cm3(Predicted)
storage temp.
2 · Sealed in dry,2-8°C
pka
3.26 · 3.26±0.23(Predicted)
CAS DataBase Reference
19427 · 19427-28-2(CAS DataBase Reference)

Safety & regulation

Safety data

wgk
3
Signal word
Warning
Symbol(GHS)
GHS07
Hazard statements
H302-H315-H319-H335
Precautionary statements
P280-P305+P351+P338

Chemistry & industry

Suppliers32 total

江苏生康迈翔科技有限公司18217475093 · [email protected]
毕佳索（上海毕得医药科技股份有限公司）400-6005915 · [email protected]
陕西缔都新材料有限公司029-63373950 17392216152 · [email protected]
上海瀚鸿科技股份有限公司021-54306202 13764082696 · [email protected]
南京圣亿来化工有限公司19951936396 · [email protected]
Additional notes · 1 item

DefinitionChEBI: N-formyl-L-aspartic acid is a N-formyl amino acid that is the N-formyl-derivative of L-aspartic acid. It has a role as a mouse metabolite. It is a N-acyl-L-aspartic acid and a N-formyl amino acid. It is a conjugate acid of a N-formyl-L-aspartate(2-).

Related reactions

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Compound notes

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