Allantoic acid

C₄H₈N₄O₄CAS 99-16-1176.13 g/mol

Open in Covalent MOL file

Carboxylic acid

Properties

Molecular formula: C₄H₈N₄O₄
Molar mass: 176.13 g/mol
Exact mass: 176.0546 Da
Melting point: 168 °C
logP: -1.44Crippen estimate
Polar surface area: 149.5 Å²
H-bond donors / acceptors: 7 / 3
Rotatable bonds: 3

Hazards

No GHS classification is on file for this compound. That is not evidence that it is harmless. Search the SDS library

Identifiers

CAS number

99-16-1

SMILES

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

InChIKey

NUCLJNSWZCHRKL-UHFFFAOYSA-N

InChI

InChI=1S/C4H8N4O4/c5-3(11)7-1(2(9)10)8-4(6)12/h1H,(H,9,10)(H3,5,7,11)(H3,6,8,12)

Weigh it out

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

Names and synonyms

5 names

Acetic acid, 2,2-bis[(aminocarbonyl)amino]-
Acetic acid, diureido-
Acetic acid, bis[(aminocarbonyl)amino]-
2,2-Bis[(aminocarbonyl)amino]acetic acid
2,2-Diureidoacetic acid

Work with Allantoic 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

Carbamoyl aspartic acid923-37-552 % similar Carbamylglutamic acid1188-38-148 % similar Albizziin1483-07-448 % similar Citrulline372-75-844 % similar Citrulline627-77-044 % similar Homocitrulline1190-49-443 % similar 2-Aminothiazoline-4-carboxylic acid2150-55-239 % similar Biuret108-19-039 % similar

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

Elsewhere

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