(2S,4R)-1-(tert-butoxycarbonyl)-4-[(4-methylphenyl)methyl]pyrrolidine-2-carboxylic acid

(2S,4R)-1-(tert-butoxycarbonyl)-4-[(4-methylphenyl)methyl]pyrrolidine-2-carboxylic acid

CAS: 959581-21-6

Formula: C18H25NO4

SMILES: CC1=CC=C(C[C@@H]2C[C@H](N(C2)C(=O)OC(C)(C)C)C(O)=O)C=C1

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

InChI: InChI=1S/C18H25NO4/c1-12-5-7-13(8-6-12)9-14-10-15(16(20)21)19(11-14)17(22)23-18(2,3)4/h5-8,14-15H,9-11H2,1-4H3,(H,20,21)/t14-,15+/m1/s1

Composition: C (67.69%), H (7.89%), N (4.39%), O (20.04%)

Molar Mass: 319.401

Atom Count: 48

Heavy Atom Count: 23

Properties

Properties

Common Names	N/A
Aromatic Ring Count	1
Asymmetric Atom Count	2
Exact Mass	319.178358289
Formal Charge	0
FSP3	0.56
Hetero Ring Count	1
Hydrogen Bond Acceptor Count	3
Hydrogen Bond Donor Count	1
InChIKey	OMVHMNVKZQEBAU-CABCVRRESA-N
Lipinski's Rule of Five	1
Molar Refractivity	87.27
Topological Polar Surface Area	66.84
Polarizability	34.05
Ring Count	2
Rotatable Bond Count	5

Suppliers

Molecule Market Select

Purity	LeadTime	CAS	PacketSize	UnitPrice
95%	<5 Days	959581-21-6		$167.71-$308.95$167.71$308.95

LabNetwork INC

Supplier Profile

Purity	LeadTime	CAS	PacketSize	UnitPrice
95%	1 Day	959581-21-6		$264.13-$660.33$264.13$352.17$660.33