Name: Name:Cyclopenta[b]pyrrole-1,2(2H)-dicarboxylic acid, hexahydro-, 1-(1,1-dimethylethyl) ester, (2S,3aS,6aS)-
Brand: Angene
SKU: AG000LDQ
Rating: 90 (10 reviews)

Cyclopenta[b]pyrrole-1,2(2H)-dicarboxylic acid, hexahydro-, 1-(1,1-dimethylethyl) ester, (2S,3aS,6aS)-

CAS No.:

124002-32-0

Catalog Number:

AG000LDQ

Molecular Formula:

C13H20NO4-

Molecular Weight:

254.3022

Catalog Number:

AG000LDQ

Chemical Name:

Cyclopenta[b]pyrrole-1,2(2H)-dicarboxylic acid, hexahydro-, 1-(1,1-dimethylethyl) ester, (2S,3aS,6aS)-

CAS Number:

124002-32-0

Molecular Formula:

C13H20NO4-

Molecular Weight:

254.3022

MDL Number:

MFCD29919795

IUPAC Name:

(2S,3aS,6aS)-1-[(2-methylpropan-2-yl)oxycarbonyl]-3,3a,4,5,6,6a-hexahydro-2H-cyclopenta[b]pyrrole-2-carboxylate

InChI:

InChI=1S/C13H21NO4/c1-13(2,3)18-12(17)14-9-6-4-5-8(9)7-10(14)11(15)16/h8-10H,4-7H2,1-3H3,(H,15,16)/p-1/t8-,9-,10-/m0/s1

InChI Key:

MHOIOLLMOIIRTR-GUBZILKMSA-M

SMILES:

[O-]C(=O)[C@@H]1C[C@H]2[C@@H](N1C(=O)OC(C)(C)C)CCC2

Complexity:

355

Compound Is Canonicalized:

Yes

Covalently-Bonded Unit Count:

Defined Atom Stereocenter Count:

Defined Bond Stereocenter Count:

Exact Mass:

254.139g/mol

Formal Charge:

-1

Heavy Atom Count:

Hydrogen Bond Acceptor Count:

Hydrogen Bond Donor Count:

Isotope Atom Count:

Molecular Weight:

254.306g/mol

Monoisotopic Mass:

254.139g/mol

Rotatable Bond Count:

Topological Polar Surface Area:

69.7A^2

Undefined Atom Stereocenter Count:

Undefined Bond Stereocenter Count:

XLogP3:

2.7