methyl 1-benzylazetidine-2-carboxylate

methyl 1-benzylazetidine-2-carboxylate

CAS: 18085-37-5

Formula: C12H15NO2

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

IUPAC: methyl 1-benzylazetidine-2-carboxylate

InChI: InChI=1/C12H15NO2/c1-15-12(14)11-7-8-13(11)9-10-5-3-2-4-6-10/h2-6,11H,7-9H2,1H3

Composition: C (70.22%), H (7.37%), N (6.82%), O (15.59%)

Molar Mass: 205.257

Atom Count: 30

Heavy Atom Count: 15

Properties

Properties

Common Names	N/A
Aromatic Ring Count	1
Asymmetric Atom Count	1
Exact Mass	205.110278727
Formal Charge	0
FSP3	0.42
Hetero Ring Count	1
Hydrogen Bond Acceptor Count	2
Hydrogen Bond Donor Count	0
InChIKey	CTFFWKWHYDAMKP-UHFFFAOYNA-N
Lipinski's Rule of Five	1
Molar Refractivity	58.1
Topological Polar Surface Area	29.54
Polarizability	22.94
Ring Count	2
Rotatable Bond Count	4

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