Name: Name:1-Pyrrolidinecarboxylic acid, 2-[[[2-(4-bromophenyl)-2-oxoethyl]amino]carbonyl]-, 1,1-dimethylethyl ester, (2S)-
Brand: Angene
SKU: AG0002VN
Rating: 90 (10 reviews)

1-Pyrrolidinecarboxylic acid, 2-[[[2-(4-bromophenyl)-2-oxoethyl]amino]carbonyl]-, 1,1-dimethylethyl ester, (2S)-

CAS No.:

1007881-98-2

Catalog Number:

AG0002VN

Molecular Formula:

C18H23BrN2O4

Molecular Weight:

411.2902

Catalog Number:

AG0002VN

Chemical Name:

1-Pyrrolidinecarboxylic acid, 2-[[[2-(4-bromophenyl)-2-oxoethyl]amino]carbonyl]-, 1,1-dimethylethyl ester, (2S)-

CAS Number:

1007881-98-2

Molecular Formula:

C18H23BrN2O4

Molecular Weight:

411.2902

MDL Number:

MFCD21496634

IUPAC Name:

tert-butyl (2S)-2-[[2-(4-bromophenyl)-2-oxoethyl]carbamoyl]pyrrolidine-1-carboxylate

InChI:

InChI=1S/C18H23BrN2O4/c1-18(2,3)25-17(24)21-10-4-5-14(21)16(23)20-11-15(22)12-6-8-13(19)9-7-12/h6-9,14H,4-5,10-11H2,1-3H3,(H,20,23)/t14-/m0/s1

InChI Key:

ZUVCUAVWIIYSEL-AWEZNQCLSA-N

SMILES:

O=C([C@@H]1CCCN1C(=O)OC(C)(C)C)NCC(=O)c1ccc(cc1)Br

Complexity:

510

Compound Is Canonicalized:

Yes

Covalently-Bonded Unit Count:

Defined Atom Stereocenter Count:

Defined Bond Stereocenter Count:

Exact Mass:

410.084g/mol

Formal Charge:

Heavy Atom Count:

Hydrogen Bond Acceptor Count:

Hydrogen Bond Donor Count:

Isotope Atom Count:

Molecular Weight:

411.296g/mol

Monoisotopic Mass:

410.084g/mol

Rotatable Bond Count:

Topological Polar Surface Area:

75.7A^2

Undefined Atom Stereocenter Count:

Undefined Bond Stereocenter Count:

XLogP3:

3.1