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124002-32-0 | Cyclopenta[b]pyrrole-1,2(2H)-dicarboxylic acid, hexahydro-, 1-(1,1-dimethylethyl) ester, (2S,3aS,6aS)-
CAS No: 124002-32-0 Catalog No: AG000LDQ MDL No:MFCD29919795
Product Description
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
Properties
Complexity:
355
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
3
Defined Bond Stereocenter Count:
0
Exact Mass:
254.139g/mol
Formal Charge:
-1
Heavy Atom Count:
18
Hydrogen Bond Acceptor Count:
4
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
254.306g/mol
Monoisotopic Mass:
254.139g/mol
Rotatable Bond Count:
2
Topological Polar Surface Area:
69.7A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2.7
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