1-benzylazetidine-2-carboxylic acid

1-benzylazetidine-2-carboxylic acid

CAS: 18085-40-0

Formula: C11H13NO2

SMILES: OC(=O)C1CCN1CC1=CC=CC=C1

IUPAC: 1-benzylazetidine-2-carboxylic acid

InChI: InChI=1/C11H13NO2/c13-11(14)10-6-7-12(10)8-9-4-2-1-3-5-9/h1-5,10H,6-8H2,(H,13,14)

Composition: C (69.09%), H (6.85%), N (7.32%), O (16.73%)

Molar Mass: 191.23

Atom Count: 27

Heavy Atom Count: 14

Properties

Properties

Common Names	N/A
Aromatic Ring Count	1
Asymmetric Atom Count	1
Exact Mass	191.094628663
Formal Charge	0
FSP3	0.36
Hetero Ring Count	1
Hydrogen Bond Acceptor Count	3
Hydrogen Bond Donor Count	1
InChIKey	WHUOCTPLGJOLFL-UHFFFAOYNA-N
Lipinski's Rule of Five	1
Molar Refractivity	53.33
Topological Polar Surface Area	40.54
Polarizability	20.84
Ring Count	2
Rotatable Bond Count	3

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