Name: Name:1,3-Pyrrolidinedicarboxylic acid, 4,4-dimethyl-, 1-(1,1-dimethylethyl) ester
Brand: Angene
SKU: AG00133U
Rating: 90 (10 reviews)

1,3-Pyrrolidinedicarboxylic acid, 4,4-dimethyl-, 1-(1,1-dimethylethyl) ester

CAS No.:

1373223-11-0

Catalog Number:

AG00133U

Molecular Formula:

C12H20NO4-

Molecular Weight:

242.2915

Catalog Number:

AG00133U

Chemical Name:

1,3-Pyrrolidinedicarboxylic acid, 4,4-dimethyl-, 1-(1,1-dimethylethyl) ester

CAS Number:

1373223-11-0

Molecular Formula:

C12H20NO4-

Molecular Weight:

242.2915

MDL Number:

MFCD22201191

IUPAC Name:

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

InChI:

InChI=1S/C12H21NO4/c1-11(2,3)17-10(16)13-6-8(9(14)15)12(4,5)7-13/h8H,6-7H2,1-5H3,(H,14,15)

InChI Key:

KSTVRUBGONQZCA-UHFFFAOYSA-N

SMILES:

[O-]C(=O)C1CN(CC1(C)C)C(=O)OC(C)(C)C

Complexity:

330

Compound Is Canonicalized:

Yes

Covalently-Bonded Unit Count:

Defined Atom Stereocenter Count:

Defined Bond Stereocenter Count:

Exact Mass:

243.147g/mol

Formal Charge:

Heavy Atom Count:

Hydrogen Bond Acceptor Count:

Hydrogen Bond Donor Count:

Isotope Atom Count:

Molecular Weight:

243.303g/mol

Monoisotopic Mass:

243.147g/mol

Rotatable Bond Count:

Topological Polar Surface Area:

66.8A^2

Undefined Atom Stereocenter Count:

Undefined Bond Stereocenter Count:

XLogP3:

1.6