Name: Name:1-(tert-Butoxycarbonyl)-4-(4-methoxyphenyl)pyrrolidine-3-carboxylic acid
Brand: Angene
SKU: AG004WT2
Rating: 90 (10 reviews)

1-(tert-Butoxycarbonyl)-4-(4-methoxyphenyl)pyrrolidine-3-carboxylic acid

CAS No.:

851484-94-1

Catalog Number:

AG004WT2

Molecular Formula:

C17H23NO5

Molecular Weight:

321.3682

Catalog Number:

AG004WT2

Chemical Name:

1-(tert-Butoxycarbonyl)-4-(4-methoxyphenyl)pyrrolidine-3-carboxylic acid

CAS Number:

851484-94-1

Molecular Formula:

C17H23NO5

Molecular Weight:

321.3682

MDL Number:

MFCD01631857

IUPAC Name:

4-(4-methoxyphenyl)-1-[(2-methylpropan-2-yl)oxycarbonyl]pyrrolidine-3-carboxylic acid

InChI:

InChI=1S/C17H23NO5/c1-17(2,3)23-16(21)18-9-13(14(10-18)15(19)20)11-5-7-12(22-4)8-6-11/h5-8,13-14H,9-10H2,1-4H3,(H,19,20)

InChI Key:

ISEHHCOIDMZBSU-UHFFFAOYSA-N

SMILES:

COc1ccc(cc1)C1CN(CC1C(=O)O)C(=O)OC(C)(C)C

Complexity:

437

Compound Is Canonicalized:

Yes

Covalently-Bonded Unit Count:

Defined Atom Stereocenter Count:

Defined Bond Stereocenter Count:

Exact Mass:

321.158g/mol

Formal Charge:

Heavy Atom Count:

Hydrogen Bond Acceptor Count:

Hydrogen Bond Donor Count:

Isotope Atom Count:

Molecular Weight:

321.373g/mol

Monoisotopic Mass:

321.158g/mol

Rotatable Bond Count:

Topological Polar Surface Area:

76.1A^2

Undefined Atom Stereocenter Count:

Undefined Bond Stereocenter Count:

XLogP3:

2.1