Name: Name:1,2-Pyrrolidinedicarboxylic acid, 3-cyclohexyl-, 1-(1,1-dimethylethyl) ester, (2R,3R)-rel-
Brand: Angene
SKU: AG001KDR
Rating: 90 (10 reviews)

1,2-Pyrrolidinedicarboxylic acid, 3-cyclohexyl-, 1-(1,1-dimethylethyl) ester, (2R,3R)-rel-

CAS No.:

1449586-26-8

Catalog Number:

AG001KDR

Molecular Formula:

C16H26NO4-

Molecular Weight:

296.3819

Catalog Number:

AG001KDR

Chemical Name:

1,2-Pyrrolidinedicarboxylic acid, 3-cyclohexyl-, 1-(1,1-dimethylethyl) ester, (2R,3R)-rel-

CAS Number:

1449586-26-8

Molecular Formula:

C16H26NO4-

Molecular Weight:

296.3819

IUPAC Name:

(2R,3R)-3-cyclohexyl-1-[(2-methylpropan-2-yl)oxycarbonyl]pyrrolidine-2-carboxylate

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)/p-1/t12-,13-/m1/s1

InChI Key:

BMRSNFIPEDVKTG-CHWSQXEVSA-M

SMILES:

[O-]C(=O)[C@H]1[C@H](CCN1C(=O)OC(C)(C)C)C1CCCCC1

Complexity:

390

Compound Is Canonicalized:

Yes

Covalently-Bonded Unit Count:

Defined Atom Stereocenter Count:

Defined Bond Stereocenter Count:

Exact Mass:

296.186g/mol

Formal Charge:

-1

Heavy Atom Count:

Hydrogen Bond Acceptor Count:

Hydrogen Bond Donor Count:

Isotope Atom Count:

Molecular Weight:

296.387g/mol

Monoisotopic Mass:

296.186g/mol

Rotatable Bond Count:

Topological Polar Surface Area:

69.7A^2

Undefined Atom Stereocenter Count:

Undefined Bond Stereocenter Count:

XLogP3:

4.5