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benzyl (2S,4S)-4-hydroxypyrrolidine-2-carboxylate hydrochloride

benzyl (2S,4S)-4-hydroxypyrrolidine-2-carboxylate hydrochloride

CAS: 1864003-48-4

Formula: C12H16ClNO3

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

IUPAC: benzyl (2S,4S)-4-hydroxypyrrolidine-2-carboxylate hydrochloride

InChI: InChI=1S/C12H15NO3.ClH/c14-10-6-11(13-7-10)12(15)16-8-9-4-2-1-3-5-9;/h1-5,10-11,13-14H,6-8H2;1H/t10-,11-;/m0./s1

Composition: C (55.93%), H (6.26%), Cl (13.76%), N (5.44%), O (18.62%)

Molar Mass: 257.71

Atom Count: 33

Heavy Atom Count: 17

Properties
Properties
Common Names N/A
Aromatic Ring Count 1
Asymmetric Atom Count 2
Exact Mass 257.0818711
Formal Charge 0
FSP3 0.42
Hetero Ring Count 1
Hydrogen Bond Acceptor Count 3
Hydrogen Bond Donor Count 2
InChIKey LVYXMDJSWLEZMP-ACMTZBLWSA-N
Lipinski's Rule of Five 1
Molar Refractivity 58.76
Topological Polar Surface Area 58.56
Polarizability 23.56
Ring Count 2
Rotatable Bond Count 4

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