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

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

CAS: 141774-68-7

Formula: C13H18N2O2

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

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

InChI: InChI=1S/C13H18N2O2/c14-9-12-7-4-8-15(12)13(16)17-10-11-5-2-1-3-6-11/h1-3,5-6,12H,4,7-10,14H2/t12-/m0/s1

Composition: C (66.64%), H (7.74%), N (11.96%), O (13.66%)

Molar Mass: 234.299

Atom Count: 35

Heavy Atom Count: 17

Properties

Properties

Common Names	N/A
Aromatic Ring Count	1
Asymmetric Atom Count	1
Exact Mass	234.136827828
Formal Charge	0
FSP3	0.46
Hetero Ring Count	1
Hydrogen Bond Acceptor Count	2
Hydrogen Bond Donor Count	1
InChIKey	NQGRCKNDDGCZPV-LBPRGKRZSA-N
Lipinski's Rule of Five	1
Molar Refractivity	65.66
Topological Polar Surface Area	55.56
Polarizability	25.91
Ring Count	2
Rotatable Bond Count	4

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