2-Amino-2-cyanoacetic acid

HCID 533486

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Basic information

CAS: 57570-05-5
Standard SMILES: N#CC(N)C(=O)O
InChIKey: RQMFZXWHCJWDQQ-UHFFFAOYSA-N
Molecular formula: C3H4N2O2
Average molar mass: 100.08 g/mol
Monoisotopic mass: 100.02727737

Names & identifiers

Preferred name: 2-Amino-2-cyanoacetic acid
IUPAC: 2-amino-2-cyanoacetic acid

Names & synonyms

2-amino-2-cyanoacetic acidAminocyanoacetic acid3-NitriloalanineSCHEMBL902567DTXSID40973148RQMFZXWHCJWDQQ-UHFFFAOYSA-NMFCD19204248AKOS006337862SY584033EN300-144757

Database identifiers

CAS: 57570-05-5
PubChem CID: 533486
DTXSID: DTXSID40973148
Nikkaji: J81.165C

Properties

Computed structural properties

XLogP: -3.4
Topological polar surface area: 87.1 Å²
Hydrogen bond donors: 2
Hydrogen bond acceptors: 4
Rotatable bonds: 1
Heavy atoms: 7
Formal charge: 0
Complexity: 122

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