Carbamoyl aspartic acid

C₅H₈N₂O₅CAS 923-37-5176.13 g/mol

Open in Covalent MOL file

Carboxylic acid

Properties

Molecular formula: C₅H₈N₂O₅
Molar mass: 176.13 g/mol
Exact mass: 176.0433 Da
Density: 1.65 g/mL
Melting point: 178–180 °C
logP: -1.00Crippen estimate
Polar surface area: 130.7 Å²
H-bond donors / acceptors: 5 / 3
Rotatable bonds: 4

Identifiers

CAS number

923-37-5

SMILES

N=C(O)NC(CC(=O)O)C(=O)O

InChIKey

HLKXYZVTANABHZ-UHFFFAOYSA-N

InChI

InChI=1S/C5H8N2O5/c6-5(12)7-2(4(10)11)1-3(8)9/h2H,1H2,(H,8,9)(H,10,11)(H3,6,7,12)

Weigh it out

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

Names and synonyms

12 names

Aspartic acid, N-(aminocarbonyl)-
Aspartic acid, N-carbamoyl-, DL-
DL-Aspartic acid, N-(aminocarbonyl)-
Aspartic acid, N-carbamoyl-
N-(Aminocarbonyl)aspartic acid
DL-2-Ureidobutanedioic acid
Carbamyl-DL-aspartic acid
Ureidosuccinic acid
N-Carbamoyl-DL-aspartic acid
NSC 120033
2-Ureidosuccinic acid
2-(Carbamoylamino)butanedioic acid

Work with Carbamoyl aspartic 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

Carbamylglutamic acid1188-38-170 % similar Edds20846-91-759 % similar N-Methyl-D-aspartic acid6384-92-558 % similar Allantoic acid99-16-152 % similar 1,2,3,4-Butanetetracarboxylic acid1703-58-848 % similar Hydantoic acid462-60-247 % similar Malic acid617-48-145 % similar D-Malic acid636-61-345 % similar

Tanimoto similarity of circular fingerprints over the whole catalogue. All similar compounds

Same formula

Dencichine5302-45-4

Elsewhere

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