Name: Name:1,3-Pyrrolidinedicarboxylicacid, 3-phenyl-, 1-(1,1-dimethylethyl) ester
Brand: Angene
SKU: AG0089CD
Rating: 90 (10 reviews)

1,3-Pyrrolidinedicarboxylicacid, 3-phenyl-, 1-(1,1-dimethylethyl) ester

CAS No.:

889654-10-8

Catalog Number:

AG0089CD

Molecular Formula:

C16H21NO4

Molecular Weight:

291.3422

Catalog Number:

AG0089CD

Chemical Name:

1,3-Pyrrolidinedicarboxylicacid, 3-phenyl-, 1-(1,1-dimethylethyl) ester

CAS Number:

889654-10-8

Molecular Formula:

C16H21NO4

Molecular Weight:

291.3422

MDL Number:

MFCD09056799

IUPAC Name:

1-[(2-methylpropan-2-yl)oxycarbonyl]-3-phenylpyrrolidine-3-carboxylic acid

InChI:

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

InChI Key:

RDAXHOIPDPHTNI-UHFFFAOYSA-N

SMILES:

O=C(N1CCC(C1)(C(=O)O)c1ccccc1)OC(C)(C)C

Complexity:

409

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:

2.3