6-amino-3-chloro-2-methyl-4,5-dihydrocyclopenta[c]pyrrole-6-carboxylic acid

C9H11ClN2O2 — CID 83909931

IUPAC6-amino-3-chloro-2-methyl-4,5-dihydrocyclopenta[c]pyrrole-6-carboxylic acid
SMILESCn1cc2c(c1Cl)CCC2(N)C(=O)O
InChIInChI=1S/C9H11ClN2O2/c1-12-4-6-5(7(12)10)2-3-9(6,11)8(13)14/h4H,2-3,11H2,1H3,(H,13,14)
InChIKeyNXIPVBTZNWOGMN-UHFFFAOYSA-N
MW214.65 g/mol
LogP0.86
Rot. Bonds1

About 6-amino-3-chloro-2-methyl-4,5-dihydrocyclopenta[c]pyrrole-6-carboxylic acid

6-amino-3-chloro-2-methyl-4,5-dihydrocyclopenta[c]pyrrole-6-carboxylic acid (PubChem CID 83909931) has the molecular formula C9H11ClN2O2 and a molecular weight of 214.65 g/mol. Its IUPAC name is 6-amino-3-chloro-2-methyl-4,5-dihydrocyclopenta[c]pyrrole-6-carboxylic acid.

Molecular Properties

Compound Name6-amino-3-chloro-2-methyl-4,5-dihydrocyclopenta[c]pyrrole-6-carboxylic acid
PubChem CID83909931
Molecular FormulaC9H11ClN2O2
Molecular Weight214.65 g/mol
Exact Mass214.05
IUPAC Name6-amino-3-chloro-2-methyl-4,5-dihydrocyclopenta[c]pyrrole-6-carboxylic acid
SMILESCn1cc2c(c1Cl)CCC2(N)C(=O)O
InChIInChI=1S/C9H11ClN2O2/c1-12-4-6-5(7(12)10)2-3-9(6,11)8(13)14/h4H,2-3,11H2,1H3,(H,13,14)
InChIKeyNXIPVBTZNWOGMN-UHFFFAOYSA-N
XLogP0.86
TPSA68.25 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500214.65
LogP ≤ 50.86
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Analyze 6-amino-3-chloro-2-methyl-4,5-dihydrocyclopenta[c]pyrrole-6-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-amino-3-chloro-2-methyl-4,5-dihydrocyclopenta[c]pyrrole-6-carboxylic acid?
The IUPAC name of 6-amino-3-chloro-2-methyl-4,5-dihydrocyclopenta[c]pyrrole-6-carboxylic acid (CID 83909931) is 6-amino-3-chloro-2-methyl-4,5-dihydrocyclopenta[c]pyrrole-6-carboxylic acid.
What is the SMILES notation for 6-amino-3-chloro-2-methyl-4,5-dihydrocyclopenta[c]pyrrole-6-carboxylic acid?
The canonical SMILES for 6-amino-3-chloro-2-methyl-4,5-dihydrocyclopenta[c]pyrrole-6-carboxylic acid is Cn1cc2c(c1Cl)CCC2(N)C(=O)O.
What is the InChIKey of 6-amino-3-chloro-2-methyl-4,5-dihydrocyclopenta[c]pyrrole-6-carboxylic acid?
The InChIKey is NXIPVBTZNWOGMN-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H11ClN2O2/c1-12-4-6-5(7(12)10)2-3-9(6,11)8(13)14/h4H,2-3,11H2,1H3,(H,13,14).
What are the key properties of 6-amino-3-chloro-2-methyl-4,5-dihydrocyclopenta[c]pyrrole-6-carboxylic acid?
6-amino-3-chloro-2-methyl-4,5-dihydrocyclopenta[c]pyrrole-6-carboxylic acid has a molecular weight of 214.65 g/mol, XLogP of 0.86, 1 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 6-amino-3-chloro-2-methyl-4,5-dihydrocyclopenta[c]pyrrole-6-carboxylic acid is sourced from PubChem (CID 83909931), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).