(2Z)-4-[(Aminocarbonyl)amino]-4-oxo-2-butenoic acid

C₅H₆N₂O₄CAS 105-61-3158.11 g/mol

Open in Covalent MOL file

Alkene Carboxylic acid

Properties

Molecular formula: C₅H₆N₂O₄
Molar mass: 158.11 g/mol
Exact mass: 158.0328 Da
Melting point: 156–160 °C (decomposes)
logP: 0.08Crippen estimate
Polar surface area: 114.0 Å²
H-bond donors / acceptors: 4 / 2
Rotatable bonds: 2

Hazards

Danger

H302 Harmful if swallowed90.7% of notifiers
H315 Causes skin irritation100% of notifiers
H318 Causes serious eye damage90.7% of notifiers
H335 May cause respiratory irritation100% of notifiers

Aggregated from 43 ECHA notifications, via PubChem; a share says how many notifiers assign that statement.

Precautionary statements

P261, P264, P264+P265, P270, P271, P280, P301+P317, P302+P352, P304+P340, P305+P354+P338, P317, P319, P321, P330, P332+P317, P362+P364, P403+P233, P405, P501

Identifiers

CAS number

105-61-3

SMILES

N=C(O)N=C(O)/C=CC(=O)O

InChIKey

GWGLGTKSTGSWGQ-UPHRSURJSA-N

InChI

InChI=1S/C5H6N2O4/c6-5(11)7-3(8)1-2-4(9)10/h1-2H,(H,9,10)(H3,6,7,8,11)/b2-1-

Weigh it out

Type any one amount. The others follow from the molar mass.

Names and synonyms

8 names

2-Butenoic acid, 4-[(aminocarbonyl)amino]-4-oxo-, (2Z)-
Maleamic acid, N-carbamoyl-
2-Butenoic acid, 4-[(aminocarbonyl)amino]-4-oxo-, (Z)-
N-Carbamoylmaleamic acid
Maleinuric acid
Maleuric acid
Maleylurea
Maleic acid monoureide

Work with (2Z)-4-[(Aminocarbonyl)amino]-4-oxo-2-butenoic acid

Predict the NMR spectrum1H and 13C shifts with multiplicities Make a solutionWhat to weigh for any molarity and volume Check drug-likenessLipinski, Veber and lead-likeness Isotope patternExact mass and the mass spectrum pattern

Similar compounds

Maleic acid110-16-748 % similar Fumaric acid110-17-848 % similar Poly(maleic acid)26099-09-248 % similar Maleamic acid557-24-447 % similar N-Phenylmaleamic acid555-59-944 % similar Maleimide541-59-343 % similar (2Z)-4-Oxo-4-[(phenylmethyl)amino]-2-butenoic acid15329-69-840 % similar Cis,cis-Muconic acid1119-72-839 % similar

Tanimoto similarity of circular fingerprints over the whole catalogue.

All similar compounds

Same formula

Ibotenic acid2552-55-8 5-Hydantoinacetic acid5427-26-9 L-Dihydroorotic acid5988-19-2

Elsewhere

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