(2R,3R)-1-(tert-butoxycarbonyl)-3-cyclohexylpyrrolidine-2-carboxylic acid

(2R,3R)-1-(tert-butoxycarbonyl)-3-cyclohexylpyrrolidine-2-carboxylic acid

CAS: 1449586-26-8

Formula: C16H27NO4

SMILES: CC(C)(C)OC(=O)N1CC[C@@H]([C@@H]1C(O)=O)C1CCCCC1

IUPAC: (2R,3R)-1-[(tert-butoxy)carbonyl]-3-cyclohexylpyrrolidine-2-carboxylic acid

InChI: InChI=1S/C16H27NO4/c1-16(2,3)21-15(20)17-10-9-12(13(17)14(18)19)11-7-5-4-6-8-11/h11-13H,4-10H2,1-3H3,(H,18,19)/t12-,13-/m1/s1

Composition: C (64.62%), H (9.15%), N (4.71%), O (21.52%)

Molar Mass: 297.395

Atom Count: 48

Heavy Atom Count: 21

Properties

Properties

Common Names	N/A
Aromatic Ring Count	0
Asymmetric Atom Count	2
Exact Mass	297.194008353
Formal Charge	0
FSP3	0.87
Hetero Ring Count	1
Hydrogen Bond Acceptor Count	3
Hydrogen Bond Donor Count	1
InChIKey	BMRSNFIPEDVKTG-CHWSQXEVSA-N
Lipinski's Rule of Five	1
Molar Refractivity	78.68
Topological Polar Surface Area	66.84
Polarizability	31.19
Ring Count	2
Rotatable Bond Count	4

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