Name: Name:1,2-Pyrrolidinedicarboxylic acid, 4-(benzoylamino)-, 1-(1,1-dimethylethyl) 2-methyl ester, (2S,4R)-
Brand: Angene
SKU: AG00IM5W
Rating: 90 (10 reviews)

1,2-Pyrrolidinedicarboxylic acid, 4-(benzoylamino)-, 1-(1,1-dimethylethyl) 2-methyl ester, (2S,4R)-

CAS No.:

943134-37-0

Catalog Number:

AG00IM5W

Molecular Formula:

C18H24N2O5

Molecular Weight:

348.3936

Catalog Number:

AG00IM5W

Chemical Name:

1,2-Pyrrolidinedicarboxylic acid, 4-(benzoylamino)-, 1-(1,1-dimethylethyl) 2-methyl ester, (2S,4R)-

CAS Number:

943134-37-0

Molecular Formula:

C18H24N2O5

Molecular Weight:

348.3936

MDL Number:

MFCD25372067

IUPAC Name:

1-O-tert-butyl 2-O-methyl (2S,4R)-4-benzamidopyrrolidine-1,2-dicarboxylate

InChI:

InChI=1S/C18H24N2O5/c1-18(2,3)25-17(23)20-11-13(10-14(20)16(22)24-4)19-15(21)12-8-6-5-7-9-12/h5-9,13-14H,10-11H2,1-4H3,(H,19,21)/t13-,14+/m1/s1

InChI Key:

KRYGQCZORPTRQW-KGLIPLIRSA-N

SMILES:

COC(=O)[C@@H]1C[C@H](CN1C(=O)OC(C)(C)C)NC(=O)c1ccccc1

Complexity:

508

Compound Is Canonicalized:

Yes

Covalently-Bonded Unit Count:

Defined Atom Stereocenter Count:

Defined Bond Stereocenter Count:

Exact Mass:

348.169g/mol

Formal Charge:

Heavy Atom Count:

Hydrogen Bond Acceptor Count:

Hydrogen Bond Donor Count:

Isotope Atom Count:

Molecular Weight:

348.399g/mol

Monoisotopic Mass:

348.169g/mol

Rotatable Bond Count:

Topological Polar Surface Area:

84.9A^2

Undefined Atom Stereocenter Count:

Undefined Bond Stereocenter Count:

XLogP3:

2.2