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

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

CAS: 83623-78-3

Formula: C17H23NO4

SMILES: CC(C)(C)OC(=O)N1C[C@@H](CC2=CC=CC=C2)C[C@H]1C(O)=O

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

InChI: InChI=1S/C17H23NO4/c1-17(2,3)22-16(21)18-11-13(10-14(18)15(19)20)9-12-7-5-4-6-8-12/h4-8,13-14H,9-11H2,1-3H3,(H,19,20)/t13-,14-/m0/s1

Composition: C (66.86%), H (7.59%), N (4.59%), O (20.96%)

Molar Mass: 305.374

Atom Count: 45

Heavy Atom Count: 22

Properties

Properties

Common Names	N/A
Aromatic Ring Count	1
Asymmetric Atom Count	2
Exact Mass	305.162708225
Formal Charge	0
FSP3	0.53
Hetero Ring Count	1
Hydrogen Bond Acceptor Count	3
Hydrogen Bond Donor Count	1
InChIKey	JPNHKKRLLDYCIZ-KBPBESRZSA-N
Lipinski's Rule of Five	1
Molar Refractivity	82.23
Topological Polar Surface Area	66.84
Polarizability	32.28
Ring Count	2
Rotatable Bond Count	5

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