Name: Name:1,3-Pyrrolidinedicarboxylic acid, 4-(2-cyanophenyl)-, 1-(1,1-dimethylethyl) ester, (3R,4S)-rel-
Brand: Angene
SKU: AG000BU9
Rating: 90 (10 reviews)

1,3-Pyrrolidinedicarboxylic acid, 4-(2-cyanophenyl)-, 1-(1,1-dimethylethyl) ester, (3R,4S)-rel-

CAS No.:

1161787-84-3

Catalog Number:

AG000BU9

Molecular Formula:

C17H19N2O4-

Molecular Weight:

315.3438

Catalog Number:

AG000BU9

Chemical Name:

1,3-Pyrrolidinedicarboxylic acid, 4-(2-cyanophenyl)-, 1-(1,1-dimethylethyl) ester, (3R,4S)-rel-

CAS Number:

1161787-84-3

Molecular Formula:

C17H19N2O4-

Molecular Weight:

315.3438

MDL Number:

MFCD06659294

IUPAC Name:

(3R,4S)-4-(2-cyanophenyl)-1-[(2-methylpropan-2-yl)oxycarbonyl]pyrrolidine-3-carboxylic acid

InChI:

InChI=1S/C17H20N2O4/c1-17(2,3)23-16(22)19-9-13(14(10-19)15(20)21)12-7-5-4-6-11(12)8-18/h4-7,13-14H,9-10H2,1-3H3,(H,20,21)/t13-,14+/m1/s1

InChI Key:

BHWWHVJMCKAYGA-KGLIPLIRSA-N

SMILES:

N#Cc1ccccc1[C@H]1CN(C[C@@H]1C(=O)[O-])C(=O)OC(C)(C)C

Complexity:

516

Compound Is Canonicalized:

Yes

Covalently-Bonded Unit Count:

Defined Atom Stereocenter Count:

Defined Bond Stereocenter Count:

Exact Mass:

316.142g/mol

Formal Charge:

Heavy Atom Count:

Hydrogen Bond Acceptor Count:

Hydrogen Bond Donor Count:

Isotope Atom Count:

Molecular Weight:

316.357g/mol

Monoisotopic Mass:

316.142g/mol

Rotatable Bond Count:

Topological Polar Surface Area:

90.6A^2

Undefined Atom Stereocenter Count:

Undefined Bond Stereocenter Count:

XLogP3:

1.9