benzyl (2S)-2-(hydroxymethyl)pyrrolidine-1-carboxylate

benzyl (2S)-2-(hydroxymethyl)pyrrolidine-1-carboxylate

CAS: 6216-63-3

Formula: C13H17NO3

SMILES: OC[C@@H]1CCCN1C(=O)OCC1=CC=CC=C1

IUPAC: benzyl (2S)-2-(hydroxymethyl)pyrrolidine-1-carboxylate

InChI: InChI=1S/C13H17NO3/c15-9-12-7-4-8-14(12)13(16)17-10-11-5-2-1-3-6-11/h1-3,5-6,12,15H,4,7-10H2/t12-/m0/s1

Composition: C (66.36%), H (7.28%), N (5.95%), O (20.40%)

Molar Mass: 235.283

Atom Count: 34

Heavy Atom Count: 17

Properties

Properties

Common Names	N/A
Aromatic Ring Count	1
Asymmetric Atom Count	1
Exact Mass	235.120843411
Formal Charge	0
FSP3	0.46
Hetero Ring Count	1
Hydrogen Bond Acceptor Count	2
Hydrogen Bond Donor Count	1
InChIKey	BJTNHGVCFWDNDP-LBPRGKRZSA-N
Lipinski's Rule of Five	1
Molar Refractivity	64
Topological Polar Surface Area	49.77
Polarizability	25.01
Ring Count	2
Rotatable Bond Count	4

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