(3S,4R)-1-benzyl-4-phenylpyrrolidine-3-carboxylic acid

(3S,4R)-1-benzyl-4-phenylpyrrolidine-3-carboxylic acid

CAS: 80896-73-7

Formula: C18H19NO2

SMILES: OC(=O)[C@@H]1CN(CC2=CC=CC=C2)C[C@H]1C1=CC=CC=C1

IUPAC: (3S,4R)-1-benzyl-4-phenylpyrrolidine-3-carboxylic acid

InChI: InChI=1S/C18H19NO2/c20-18(21)17-13-19(11-14-7-3-1-4-8-14)12-16(17)15-9-5-2-6-10-15/h1-10,16-17H,11-13H2,(H,20,21)/t16-,17+/m0/s1

Composition: C (76.84%), H (6.81%), N (4.98%), O (11.37%)

Molar Mass: 281.355

Atom Count: 40

Heavy Atom Count: 21

Properties

Properties

Common Names	N/A
Aromatic Ring Count	2
Asymmetric Atom Count	2
Exact Mass	281.141578856
Formal Charge	0
FSP3	0.28
Hetero Ring Count	1
Hydrogen Bond Acceptor Count	3
Hydrogen Bond Donor Count	1
InChIKey	IMROELKPEBZHGE-DLBZAZTESA-N
Lipinski's Rule of Five	1
Molar Refractivity	82.79
Topological Polar Surface Area	40.54
Polarizability	32.29
Ring Count	3
Rotatable Bond Count	4

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