Basic information
- CAS
29996-04-1- Standard SMILES
NC(=O)/C=C\C(=O)O- InChIKey
FSQQTNAZHBEJLS-UPHRSURJSA-N- Molecular formula
- C4H5NO3
- Average molar mass
- 115.09 g/mol
- Monoisotopic mass
- 115.02694302
Overview
Maleamic acid is a dicarboxylic acid monoamide of maleamic acid. It has a role as an Escherichia coli metabolite and a bacterial xenobiotic metabolite. It is a dicarboxylic acid monoamide and an alpha,beta-unsaturated monocarboxylic acid. It is functionally related to a maleic acid. It is a conjugate acid of a maleamate.
Names & identifiers
- Preferred name
- Maleamic acid
- IUPAC
- (Z)-4-amino-4-oxobut-2-enoic acid
Names & synonyms
MALEAMIC ACID(Z)-4-amino-4-oxobut-2-enoic acidMaleic acid monoamide557-24-4MaleamateMaleic monoamideMJS1DTX3X1CHEBI:29045DTXSID301031738NSC-8155(Z)-4-azanyl-4-oxidanylidene-but-2-enoic acidCHEBI:16146
Show more names
RefChem:800737DTXCID601516747209-163-4(2Z)-3-carbamoylprop-2-enoic acidAcrylic acid, 3-carbamoyl-, (Z)-2-butenoic acid, 4-amino-4-oxo-, (2Z)-(Z)-4-amino-4-oxo-2-butenoic acid(2Z)-4-amino-4-oxobut-2-enoic acid
Database identifiers
- CAS
29996-04-1、557-24-4- PubChem CID
- 5280451
- DTXSID
DTXSID301031738- ChEBI
CHEBI:29045- UNII
- MJS1DTX3X1
- EC Number
- 209-163-4
- Nikkaji
- J53.672E
Properties
Computed structural properties
- XLogP
- -1
- Topological polar surface area
- 80.4 Ų
- Hydrogen bond donors
- 2
- Hydrogen bond acceptors
- 3
- Rotatable bonds
- 2
- Heavy atoms
- 8
- Formal charge
- 0
- Complexity
- 138
Safety & regulation
GHS classification
GHS Classification
Warning
H315 (100%): Causes skin irritation [Warning Skin corrosion/irritation]
P261, P264, P264+P265, P271, P280, P302+P352, P304+P340, P305+P351+P338, P319, P321, P332+P317, P337+P317, P362+P364, P403+P233, P405, and P501 (click each P-code to see the statement)
Aggregated GHS information provided per 40 reports by companies from 3 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.
Hazard information
Regulatory Information2-Butenoic acid, 4-amino-4-oxo-, (2Z)-: Does not have an individual approval but may be used under an appropriate group standard
Hazard Classes and CategoriesSkin Irrit. 2 (100%)
Related reactions
11 records
Compound notes
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