3-Amino-4-oxoazetidine-2-carboxylic acid

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Basic information

CAS: 110727-85-0
Standard SMILES: NC1C(=O)NC1C(=O)O
InChIKey: NTCFPWFFFBNPOB-UHFFFAOYSA-N
Molecular formula: C4H6N2O3
Average molar mass: 130.1 g/mol
Monoisotopic mass: 130.03784206

Names & identifiers

Preferred name: 3-Amino-4-oxoazetidine-2-carboxylic acid
IUPAC: 3-amino-4-oxoazetidine-2-carboxylic acid
English name: 2-Azetidinecarboxylicacid,3-amino-4-oxo-
Molecular formula: C4H6N2O3
Molecular weight: 130.1

Names & synonyms

3-Amino-4-oxoazetidine-2-carboxylic acid110727-85-02-Azetidinecarboxylicacid,3-amino-4-oxo-SCHEMBL10547355DTXSID50611584AKOS0063325612-Azetidinecarboxylicacid,3-amino-4-oxo-(9CI)

Database identifiers

CAS: 110727-85-0
PubChem CID: 21244098
DTXSID: DTXSID50611584

Properties

Computed structural properties

XLogP: -3.7
Topological polar surface area: 92.4 Å²
Hydrogen bond donors: 3
Hydrogen bond acceptors: 4
Rotatable bonds: 1
Heavy atoms: 9
Formal charge: 0
Complexity: 167

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Compound notes

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