6-hydroxy-1,4,5,6-tetrahydrocyclopenta[b]pyrrole-2-carboxylic acid

C8H9NO3 — CID 70289111

IUPAC6-hydroxy-1,4,5,6-tetrahydrocyclopenta[b]pyrrole-2-carboxylic acid
SMILESO=C(O)c1cc2c([nH]1)C(O)CC2
InChIInChI=1S/C8H9NO3/c10-6-2-1-4-3-5(8(11)12)9-7(4)6/h3,6,9-10H,1-2H2,(H,11,12)
InChIKeyZHUHMQXWHUFATQ-UHFFFAOYSA-N
MW167.16 g/mol
LogP0.69
Rot. Bonds1

About 6-hydroxy-1,4,5,6-tetrahydrocyclopenta[b]pyrrole-2-carboxylic acid

6-hydroxy-1,4,5,6-tetrahydrocyclopenta[b]pyrrole-2-carboxylic acid (PubChem CID 70289111) has the molecular formula C8H9NO3 and a molecular weight of 167.16 g/mol. Its IUPAC name is 6-hydroxy-1,4,5,6-tetrahydrocyclopenta[b]pyrrole-2-carboxylic acid.

Molecular Properties

Compound Name6-hydroxy-1,4,5,6-tetrahydrocyclopenta[b]pyrrole-2-carboxylic acid
PubChem CID70289111
Molecular FormulaC8H9NO3
Molecular Weight167.16 g/mol
Exact Mass167.06
IUPAC Name6-hydroxy-1,4,5,6-tetrahydrocyclopenta[b]pyrrole-2-carboxylic acid
SMILESO=C(O)c1cc2c([nH]1)C(O)CC2
InChIInChI=1S/C8H9NO3/c10-6-2-1-4-3-5(8(11)12)9-7(4)6/h3,6,9-10H,1-2H2,(H,11,12)
InChIKeyZHUHMQXWHUFATQ-UHFFFAOYSA-N
XLogP0.69
TPSA73.32 Ų
H-Bond Donors3
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500167.16
LogP ≤ 50.69
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 102

Analyze 6-hydroxy-1,4,5,6-tetrahydrocyclopenta[b]pyrrole-2-carboxylic acid with MolForge

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

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 6-hydroxy-1,4,5,6-tetrahydrocyclopenta[b]pyrrole-2-carboxylic acid?
The IUPAC name of 6-hydroxy-1,4,5,6-tetrahydrocyclopenta[b]pyrrole-2-carboxylic acid (CID 70289111) is 6-hydroxy-1,4,5,6-tetrahydrocyclopenta[b]pyrrole-2-carboxylic acid.
What is the SMILES notation for 6-hydroxy-1,4,5,6-tetrahydrocyclopenta[b]pyrrole-2-carboxylic acid?
The canonical SMILES for 6-hydroxy-1,4,5,6-tetrahydrocyclopenta[b]pyrrole-2-carboxylic acid is O=C(O)c1cc2c([nH]1)C(O)CC2.
What is the InChIKey of 6-hydroxy-1,4,5,6-tetrahydrocyclopenta[b]pyrrole-2-carboxylic acid?
The InChIKey is ZHUHMQXWHUFATQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H9NO3/c10-6-2-1-4-3-5(8(11)12)9-7(4)6/h3,6,9-10H,1-2H2,(H,11,12).
What are the key properties of 6-hydroxy-1,4,5,6-tetrahydrocyclopenta[b]pyrrole-2-carboxylic acid?
6-hydroxy-1,4,5,6-tetrahydrocyclopenta[b]pyrrole-2-carboxylic acid has a molecular weight of 167.16 g/mol, XLogP of 0.69, 1 rotatable bonds, 3 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 6-hydroxy-1,4,5,6-tetrahydrocyclopenta[b]pyrrole-2-carboxylic acid is sourced from PubChem (CID 70289111), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).