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benzyl N-[(3S,5R)-5-(hydroxymethyl)pyrrolidin-3-yl]carbamate hydrochloride

benzyl N-[(3S,5R)-5-(hydroxymethyl)pyrrolidin-3-yl]carbamate hydrochloride

CAS: 1217751-87-5

Formula: C13H19ClN2O3

SMILES: Cl.OC[C@H]1C[C@@H](CN1)NC(=O)OCC1=CC=CC=C1

IUPAC: benzyl N-[(3S,5R)-5-(hydroxymethyl)pyrrolidin-3-yl]carbamate hydrochloride

InChI: InChI=1S/C13H18N2O3.ClH/c16-8-12-6-11(7-14-12)15-13(17)18-9-10-4-2-1-3-5-10;/h1-5,11-12,14,16H,6-9H2,(H,15,17);1H/t11-,12+;/m0./s1

Composition: C (54.45%), H (6.68%), Cl (12.36%), N (9.77%), O (16.74%)

Molar Mass: 286.76

Atom Count: 38

Heavy Atom Count: 19

Properties
Properties
Common Names N/A
Aromatic Ring Count 1
Asymmetric Atom Count 2
Exact Mass 286.1084202
Formal Charge 0
FSP3 0.46
Hetero Ring Count 1
Hydrogen Bond Acceptor Count 3
Hydrogen Bond Donor Count 3
InChIKey JLVANPPTBNGFRW-ZVWHLABXSA-N
Lipinski's Rule of Five 1
Molar Refractivity 66.85
Topological Polar Surface Area 70.59
Polarizability 26.54
Ring Count 2
Rotatable Bond Count 5

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