Name: Name:1,3-Pyrrolidinedicarboxylic acid, 1-(1,1-dimethylethyl) 3-ethyl ester, (3R)-
Brand: Angene
SKU: AG000W6X
Rating: 90 (10 reviews)

1,3-Pyrrolidinedicarboxylic acid, 1-(1,1-dimethylethyl) 3-ethyl ester, (3R)-

CAS No.:

1314419-65-2

Catalog Number:

AG000W6X

Molecular Formula:

C12H21NO4

Molecular Weight:

243.2994

Catalog Number:

AG000W6X

Chemical Name:

1,3-Pyrrolidinedicarboxylic acid, 1-(1,1-dimethylethyl) 3-ethyl ester, (3R)-

CAS Number:

1314419-65-2

Molecular Formula:

C12H21NO4

Molecular Weight:

243.2994

MDL Number:

MFCD19442798

IUPAC Name:

1-O-tert-butyl 3-O-ethyl (3R)-pyrrolidine-1,3-dicarboxylate

InChI:

InChI=1S/C12H21NO4/c1-5-16-10(14)9-6-7-13(8-9)11(15)17-12(2,3)4/h9H,5-8H2,1-4H3/t9-/m1/s1

InChI Key:

PKDQVUYUWUHNMG-SECBINFHSA-N

SMILES:

CCOC(=O)[C@@H]1CCN(C1)C(=O)OC(C)(C)C

Complexity:

295

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:

55.8A^2

Undefined Atom Stereocenter Count:

Undefined Bond Stereocenter Count:

XLogP3:

1.5