1,2,3,3a,4,5,6,6a-octahydrocyclopenta[c]pyrrole-3,5-dicarboxylic acid

C9H13NO4 — CID 75089596

IUPAC1,2,3,3a,4,5,6,6a-octahydrocyclopenta[c]pyrrole-3,5-dicarboxylic acid
SMILESO=C(O)C1CC2CNC(C(=O)O)C2C1
InChIInChI=1S/C9H13NO4/c11-8(12)4-1-5-3-10-7(9(13)14)6(5)2-4/h4-7,10H,1-3H2,(H,11,12)(H,13,14)
InChIKeyFGUXCGYZWZZFRA-UHFFFAOYSA-N
MW199.21 g/mol
LogP-0.23
Rot. Bonds2

About 1,2,3,3a,4,5,6,6a-octahydrocyclopenta[c]pyrrole-3,5-dicarboxylic acid

1,2,3,3a,4,5,6,6a-octahydrocyclopenta[c]pyrrole-3,5-dicarboxylic acid (PubChem CID 75089596) has the molecular formula C9H13NO4 and a molecular weight of 199.21 g/mol. Its IUPAC name is 1,2,3,3a,4,5,6,6a-octahydrocyclopenta[c]pyrrole-3,5-dicarboxylic acid.

Molecular Properties

Compound Name1,2,3,3a,4,5,6,6a-octahydrocyclopenta[c]pyrrole-3,5-dicarboxylic acid
PubChem CID75089596
Molecular FormulaC9H13NO4
Molecular Weight199.21 g/mol
Exact Mass199.08
IUPAC Name1,2,3,3a,4,5,6,6a-octahydrocyclopenta[c]pyrrole-3,5-dicarboxylic acid
SMILESO=C(O)C1CC2CNC(C(=O)O)C2C1
InChIInChI=1S/C9H13NO4/c11-8(12)4-1-5-3-10-7(9(13)14)6(5)2-4/h4-7,10H,1-3H2,(H,11,12)(H,13,14)
InChIKeyFGUXCGYZWZZFRA-UHFFFAOYSA-N
XLogP-0.23
TPSA86.63 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500199.21
LogP ≤ 5-0.23
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

Analyze 1,2,3,3a,4,5,6,6a-octahydrocyclopenta[c]pyrrole-3,5-dicarboxylic acid with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

(1S,2R,5R)-3-azabicyclo[3.1.0]hexane-2-carboxylic acid
CID 12851885
1,2,3,3a,4,5,6,6a-octahydropyrrolo[3,4-c]pyrrole-4-carboxylic acid
CID 67231854
(1R,3aS,7aS)-2,3,3a,4,5,6,7,7a-octahydro-1H-isoindole-1-carboxylic acid
CID 45082692
(3R,3aS,6aR)-1,2,3,3a,4,5,6,6a-octahydrocyclopenta[c]pyrrole-3-carboxylic acid
CID 13232017
2,3,3a,4,5,6,7,8,9,9a-decahydro-1H-cycloocta[c]pyrrole-3-carboxylic acid
CID 163706670
(1S,2R,6S)-3-azabicyclo[4.1.0]heptane-2-carboxylic acid;hydrochloride
CID 154814140
(1R,3aS,7aS)-6-oxo-1,2,3,3a,4,5,7,7a-octahydroisoindole-1-carboxylic acid
CID 124707465
3-aminoazetidine-2-carboxylic acid
CID 23504294
1-[(3S)-5-chloro-1,2,3,3a,4,5,6,6a-octahydrocyclopenta[c]pyrrol-3-yl]ethanone
CID 70337884
methyl 3-azabicyclo[3.1.0]hexane-2-carboxylate;hydrochloride
CID 69499214
2,3,4,4a,5,6,6a,7,8,9,9a,9b-dodecahydro-1H-cyclopenta[f]quinoxaline-8-carboxylic acid
CID 54049021
ethyl (1R,5R)-3-azabicyclo[3.1.0]hexane-2-carboxylate
CID 54230986

Frequently Asked Questions

What is the IUPAC name of 1,2,3,3a,4,5,6,6a-octahydrocyclopenta[c]pyrrole-3,5-dicarboxylic acid?
The IUPAC name of 1,2,3,3a,4,5,6,6a-octahydrocyclopenta[c]pyrrole-3,5-dicarboxylic acid (CID 75089596) is 1,2,3,3a,4,5,6,6a-octahydrocyclopenta[c]pyrrole-3,5-dicarboxylic acid.
What is the SMILES notation for 1,2,3,3a,4,5,6,6a-octahydrocyclopenta[c]pyrrole-3,5-dicarboxylic acid?
The canonical SMILES for 1,2,3,3a,4,5,6,6a-octahydrocyclopenta[c]pyrrole-3,5-dicarboxylic acid is O=C(O)C1CC2CNC(C(=O)O)C2C1.
What is the InChIKey of 1,2,3,3a,4,5,6,6a-octahydrocyclopenta[c]pyrrole-3,5-dicarboxylic acid?
The InChIKey is FGUXCGYZWZZFRA-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H13NO4/c11-8(12)4-1-5-3-10-7(9(13)14)6(5)2-4/h4-7,10H,1-3H2,(H,11,12)(H,13,14).
What are the key properties of 1,2,3,3a,4,5,6,6a-octahydrocyclopenta[c]pyrrole-3,5-dicarboxylic acid?
1,2,3,3a,4,5,6,6a-octahydrocyclopenta[c]pyrrole-3,5-dicarboxylic acid has a molecular weight of 199.21 g/mol, XLogP of -0.23, 2 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1,2,3,3a,4,5,6,6a-octahydrocyclopenta[c]pyrrole-3,5-dicarboxylic acid is sourced from PubChem (CID 75089596), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).