Name: Name:3-Pyrrolidinecarboxylic acid, 3-[[(1,1-dimethylethoxy)carbonyl]amino]-1-(phenylmethyl)-
Brand: Angene
SKU: AG0008AE
Rating: 90 (10 reviews)

3-Pyrrolidinecarboxylic acid, 3-[[(1,1-dimethylethoxy)carbonyl]amino]-1-(phenylmethyl)-

CAS No.:

1027511-74-5

Catalog Number:

AG0008AE

Molecular Formula:

C17H24N2O4

Molecular Weight:

320.3835

Catalog Number:

AG0008AE

Chemical Name:

3-Pyrrolidinecarboxylic acid, 3-[[(1,1-dimethylethoxy)carbonyl]amino]-1-(phenylmethyl)-

CAS Number:

1027511-74-5

Molecular Formula:

C17H24N2O4

Molecular Weight:

320.3835

MDL Number:

MFCD09838930

IUPAC Name:

1-benzyl-3-[(2-methylpropan-2-yl)oxycarbonylamino]pyrrolidine-3-carboxylic acid

InChI:

InChI=1S/C17H24N2O4/c1-16(2,3)23-15(22)18-17(14(20)21)9-10-19(12-17)11-13-7-5-4-6-8-13/h4-8H,9-12H2,1-3H3,(H,18,22)(H,20,21)

InChI Key:

PXFJWKWTINVBAL-UHFFFAOYSA-N

SMILES:

O=C(NC1(CCN(C1)Cc1ccccc1)C(=O)O)OC(C)(C)C

Complexity:

440

Compound Is Canonicalized:

Yes

Covalently-Bonded Unit Count:

Defined Atom Stereocenter Count:

Defined Bond Stereocenter Count:

Exact Mass:

320.174g/mol

Formal Charge:

Heavy Atom Count:

Hydrogen Bond Acceptor Count:

Hydrogen Bond Donor Count:

Isotope Atom Count:

Molecular Weight:

320.389g/mol

Monoisotopic Mass:

320.174g/mol

Rotatable Bond Count:

Topological Polar Surface Area:

78.9A^2

Undefined Atom Stereocenter Count:

Undefined Bond Stereocenter Count:

XLogP3:

-0.2