1-benzylpyrrolidine-2-carboxylic acid

1-benzylpyrrolidine-2-carboxylic acid

CAS: 60169-72-4

Formula: C12H15NO2

SMILES: OC(=O)C1CCCN1CC1=CC=CC=C1

IUPAC: 1-benzylpyrrolidine-2-carboxylic acid

InChI: InChI=1/C12H15NO2/c14-12(15)11-7-4-8-13(11)9-10-5-2-1-3-6-10/h1-3,5-6,11H,4,7-9H2,(H,14,15)

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	3
Hydrogen Bond Donor Count	1
InChIKey	XNROFTAJEGCDCT-UHFFFAOYNA-N
Lipinski's Rule of Five	1
Molar Refractivity	57.97
Topological Polar Surface Area	40.54
Polarizability	22.68
Ring Count	2
Rotatable Bond Count	3

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