1-(4-methylbenzoyl)azetidine-3-carboxylic Acid

HCID 3694440

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Basic information

CAS: 866042-80-0
Standard SMILES: Cc1ccc(C(=O)N2CC(C(=O)O)C2)cc1
InChIKey: ILIKRFYAMVZWMT-UHFFFAOYSA-N
Molecular formula: C12H13NO3
Average molar mass: 219.24 g/mol
Monoisotopic mass: 219.08954328

Names & identifiers

Preferred name: 1-(4-methylbenzoyl)azetidine-3-carboxylic Acid
IUPAC: 1-(4-methylbenzoyl)azetidine-3-carboxylic acid

Names & synonyms

1-(4-methylbenzoyl)azetidine-3-carboxylic Acid866042-80-01-(4-methylbenzoyl)-3-azetanecarboxylic acidMFCD05670603MLS000736161CHEMBL1701592DTXSID901249791HMS2646N15AKOS013582614MS-3485SMR0003387111-(4-methylbenzoyl)azetidine-3-carboxylicAcid

Show more names

1-(4-Methylbenzoyl)-3-azetidinecarboxylic acidSR-01000307643SR-01000307643-1F1908-1393

Database identifiers

CAS: 866042-80-0
PubChem CID: 3694440
DTXSID: DTXSID901249791
ChEMBL: CHEMBL1701592

Properties

Computed structural properties

XLogP: 1.1
Topological polar surface area: 57.6 Å²
Hydrogen bond donors: 1
Hydrogen bond acceptors: 3
Rotatable bonds: 2
Heavy atoms: 16
Formal charge: 0
Complexity: 289

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