Home Carboxys Cyclopenta[c]pyrrole-1,2(1H)-dicarboxylic acid, hexahydro-5-oxo-, 2-(1,1-dimethylethyl) ester

Cyclopenta[c]pyrrole-1,2(1H)-dicarboxylic acid, hexahydro-5-oxo-, 2-(1,1-dimethylethyl) ester

CAS No.:
1419100-98-3
Catalog Number:
AG001HD6
Molecular Formula:
C13H18NO5-
Molecular Weight:
268.2857
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Product Description
Catalog Number:
AG001HD6
Chemical Name:
Cyclopenta[c]pyrrole-1,2(1H)-dicarboxylic acid, hexahydro-5-oxo-, 2-(1,1-dimethylethyl) ester
CAS Number:
1419100-98-3
Molecular Formula:
C13H18NO5-
Molecular Weight:
268.2857
IUPAC Name:
2-[(2-methylpropan-2-yl)oxycarbonyl]-5-oxo-1,3,3a,4,6,6a-hexahydrocyclopenta[c]pyrrole-3-carboxylic acid
InChI:
InChI=1S/C13H19NO5/c1-13(2,3)19-12(18)14-6-7-4-8(15)5-9(7)10(14)11(16)17/h7,9-10H,4-6H2,1-3H3,(H,16,17)
InChI Key:
KMDJCCBSGFKRFR-UHFFFAOYSA-N
SMILES:
O=C1CC2C(C1)C(N(C2)C(=O)OC(C)(C)C)C(=O)[O-]
Properties
Complexity:
425  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
269.126g/mol
Formal Charge:
0
Heavy Atom Count:
19  
Hydrogen Bond Acceptor Count:
5  
Hydrogen Bond Donor Count:
1  
Isotope Atom Count:
0
Molecular Weight:
269.297g/mol
Monoisotopic Mass:
269.126g/mol
Rotatable Bond Count:
3  
Topological Polar Surface Area:
83.9A^2
Undefined Atom Stereocenter Count:
3  
Undefined Bond Stereocenter Count:
0
XLogP3:
0.5  
Properties