Name: Name:1,2-Pyrrolidinedicarboxylic acid, 2-[(3-methylphenyl)methyl]-, 1-(1,1-dimethylethyl) ester, (2S)-
Brand: Angene
SKU: AG0015TJ
Rating: 90 (10 reviews)

1,2-Pyrrolidinedicarboxylic acid, 2-[(3-methylphenyl)methyl]-, 1-(1,1-dimethylethyl) ester, (2S)-

CAS No.:

1217604-87-9

Catalog Number:

AG0015TJ

Molecular Formula:

C18H24NO4-

Molecular Weight:

318.3875

Catalog Number:

AG0015TJ

Chemical Name:

1,2-Pyrrolidinedicarboxylic acid, 2-[(3-methylphenyl)methyl]-, 1-(1,1-dimethylethyl) ester, (2S)-

CAS Number:

1217604-87-9

Molecular Formula:

C18H24NO4-

Molecular Weight:

318.3875

MDL Number:

MFCD06796773

IUPAC Name:

(2S)-2-[(3-methylphenyl)methyl]-1-[(2-methylpropan-2-yl)oxycarbonyl]pyrrolidine-2-carboxylic acid

InChI:

InChI=1S/C18H25NO4/c1-13-7-5-8-14(11-13)12-18(15(20)21)9-6-10-19(18)16(22)23-17(2,3)4/h5,7-8,11H,6,9-10,12H2,1-4H3,(H,20,21)/t18-/m0/s1

InChI Key:

ZIGTYSBIVWDRDS-SFHVURJKSA-N

SMILES:

Cc1cccc(c1)C[C@@]1(CCCN1C(=O)OC(C)(C)C)C(=O)[O-]

Complexity:

456

Compound Is Canonicalized:

Yes

Covalently-Bonded Unit Count:

Defined Atom Stereocenter Count:

Defined Bond Stereocenter Count:

Exact Mass:

319.178g/mol

Formal Charge:

Heavy Atom Count:

Hydrogen Bond Acceptor Count:

Hydrogen Bond Donor Count:

Isotope Atom Count:

Molecular Weight:

319.401g/mol

Monoisotopic Mass:

319.178g/mol

Rotatable Bond Count:

Topological Polar Surface Area:

66.8A^2

Undefined Atom Stereocenter Count:

Undefined Bond Stereocenter Count:

XLogP3:

3.4