Name: Name:1-[(tert-butoxy)carbonyl]-4-phenylpyrrolidine-2-carboxylic acid, Mixture of diastereomers
Brand: Angene
SKU: AG01EKD3
Rating: 90 (10 reviews)

1-[(tert-butoxy)carbonyl]-4-phenylpyrrolidine-2-carboxylic acid, Mixture of diastereomers

CAS No.:

952480-20-5

Catalog Number:

AG01EKD3

Molecular Formula:

C16H21NO4

Molecular Weight:

291.3422

Catalog Number:

AG01EKD3

Chemical Name:

1-[(tert-butoxy)carbonyl]-4-phenylpyrrolidine-2-carboxylic acid, Mixture of diastereomers

CAS Number:

952480-20-5

Molecular Formula:

C16H21NO4

Molecular Weight:

291.3422

MDL Number:

MFCD06739063

IUPAC Name:

1-[(2-methylpropan-2-yl)oxycarbonyl]-4-phenylpyrrolidine-2-carboxylic acid

InChI:

InChI=1S/C16H21NO4/c1-16(2,3)21-15(20)17-10-12(9-13(17)14(18)19)11-7-5-4-6-8-11/h4-8,12-13H,9-10H2,1-3H3,(H,18,19)

InChI Key:

JDAQDIQHICLYKH-UHFFFAOYSA-N

SMILES:

O=C(N1CC(CC1C(=O)O)c1ccccc1)OC(C)(C)C

Complexity:

396

Compound Is Canonicalized:

Yes

Covalently-Bonded Unit Count:

Defined Atom Stereocenter Count:

Defined Bond Stereocenter Count:

Exact Mass:

291.147g/mol

Formal Charge:

Heavy Atom Count:

Hydrogen Bond Acceptor Count:

Hydrogen Bond Donor Count:

Isotope Atom Count:

Molecular Weight:

291.347g/mol

Monoisotopic Mass:

291.147g/mol

Rotatable Bond Count:

Topological Polar Surface Area:

66.8A^2

Undefined Atom Stereocenter Count:

Undefined Bond Stereocenter Count:

XLogP3:

2.6