(2S,4S)-1-(tert-butoxycarbonyl)-4-phenylpyrrolidine-2-carboxylic acid

(2S,4S)-1-(tert-butoxycarbonyl)-4-phenylpyrrolidine-2-carboxylic acid

CAS: 96314-29-3

Formula: C16H21NO4

SMILES: CC(C)(C)OC(=O)N1C[C@@H](C[C@H]1C(O)=O)C1=CC=CC=C1

IUPAC: (2S,4S)-1-[(tert-butoxy)carbonyl]-4-phenylpyrrolidine-2-carboxylic acid

InChI: InChI=1S/C16H21NO4/c1-16(2,3)21-15(20)17-10-12(9-13(17)14(18)19)11-7-5-4-6-8-11/h4-8,12-13H,9-10H2,1-3H3,(H,18,19)/t12-,13+/m1/s1

Composition: C (65.96%), H (7.27%), N (4.81%), O (21.97%)

Molar Mass: 291.347

Atom Count: 42

Heavy Atom Count: 21

Properties

Properties

Common Names	N/A
Aromatic Ring Count	1
Asymmetric Atom Count	2
Exact Mass	291.14705816
Formal Charge	0
FSP3	0.5
Hetero Ring Count	1
Hydrogen Bond Acceptor Count	3
Hydrogen Bond Donor Count	1
InChIKey	JDAQDIQHICLYKH-OLZOCXBDSA-N
Lipinski's Rule of Five	1
Molar Refractivity	77.63
Topological Polar Surface Area	66.84
Polarizability	30.45
Ring Count	2
Rotatable Bond Count	4

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