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methyl (2S,5S)-5-phenylpyrrolidine-2-carboxylate

methyl (2S,5S)-5-phenylpyrrolidine-2-carboxylate

CAS: 155343-63-8

Formula: C12H15NO2

SMILES: COC(=O)[C@@H]1CC[C@H](N1)C1=CC=CC=C1

IUPAC: methyl (2S,5S)-5-phenylpyrrolidine-2-carboxylate

InChI: InChI=1S/C12H15NO2/c1-15-12(14)11-8-7-10(13-11)9-5-3-2-4-6-9/h2-6,10-11,13H,7-8H2,1H3/t10-,11-/m0/s1

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 2
Exact Mass 205.110278727
Formal Charge 0
FSP3 0.42
Hetero Ring Count 1
Hydrogen Bond Acceptor Count 2
Hydrogen Bond Donor Count 1
InChIKey PLTYXWQEMLQCPO-QWRGUYRKSA-N
Lipinski's Rule of Five 1
Molar Refractivity 57.12
Topological Polar Surface Area 38.33
Polarizability 22.94
Ring Count 2
Rotatable Bond Count 3

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