2-amino-5,6-dihydro-4H-cyclopenta[b]thiophene-3-carboxylic acid

C8H9NO2S — CID 5151249

IUPAC2-amino-5,6-dihydro-4H-cyclopenta[b]thiophene-3-carboxylic acid
SMILESNc1sc2c(c1C(=O)O)CCC2
InChIInChI=1S/C8H9NO2S/c9-7-6(8(10)11)4-2-1-3-5(4)12-7/h1-3,9H2,(H,10,11)
InChIKeyGYWYRJBGPKHKCX-UHFFFAOYSA-N
MW183.23 g/mol
LogP1.52
Rot. Bonds1

About 2-amino-5,6-dihydro-4H-cyclopenta[b]thiophene-3-carboxylic acid

2-amino-5,6-dihydro-4H-cyclopenta[b]thiophene-3-carboxylic acid (PubChem CID 5151249) has the molecular formula C8H9NO2S and a molecular weight of 183.23 g/mol. Its IUPAC name is 2-amino-5,6-dihydro-4H-cyclopenta[b]thiophene-3-carboxylic acid.

Molecular Properties

Compound Name2-amino-5,6-dihydro-4H-cyclopenta[b]thiophene-3-carboxylic acid
PubChem CID5151249
Molecular FormulaC8H9NO2S
Molecular Weight183.23 g/mol
Exact Mass183.04
IUPAC Name2-amino-5,6-dihydro-4H-cyclopenta[b]thiophene-3-carboxylic acid
SMILESNc1sc2c(c1C(=O)O)CCC2
InChIInChI=1S/C8H9NO2S/c9-7-6(8(10)11)4-2-1-3-5(4)12-7/h1-3,9H2,(H,10,11)
InChIKeyGYWYRJBGPKHKCX-UHFFFAOYSA-N
XLogP1.52
TPSA63.32 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500183.23
LogP ≤ 51.52
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'thiophene_amino_Aa(45)', 'substructure': 'N/A'}

Analyze 2-amino-5,6-dihydro-4H-cyclopenta[b]thiophene-3-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

Related Compounds

1-(2-amino-5,6-dihydro-4H-cyclopenta[b]thiophen-3-yl)ethanone
CID 65354676
2-methoxy-5,6-dihydro-4H-cyclopenta[b]thiophene-3-carboxylic acid
CID 155388911
(2-amino-5,6-dihydro-4H-cyclopenta[b]thiophen-3-yl)-(4-methylphenyl)methanone
CID 860207
2-methyl-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylic acid
CID 20676172
2-(trifluoromethyl)-5,6-dihydro-4H-cyclopenta[b]thiophene-3-carboxylic acid
CID 155388917
2-amino-N,N-dimethyl-5,6,7,8-tetrahydro-4H-cyclohepta[b]thiophene-3-carboxamide
CID 43174823
2-amino-5,7-dihydro-4H-thieno[2,3-c]pyridine-3,6-dicarboxylic acid
CID 75409780
2-amino-N-cyclohexyl-5,6-dihydro-4H-cyclopenta[b]thiophene-3-carboxamide
CID 843789
2-amino-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylic acid;4-(difluoromethoxy)benzaldehyde
CID 143287620
benzoyl 2-amino-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylate
CID 139994449
2-bromo-5,6,7,8-tetrahydro-4H-cyclohepta[b]thiophene-3-carboxylic acid
CID 82374906
(2-amino-5,6-dihydro-4H-cyclopenta[b]thiophen-3-yl)-(3-fluorophenyl)methanone
CID 11129084

Frequently Asked Questions

What is the IUPAC name of 2-amino-5,6-dihydro-4H-cyclopenta[b]thiophene-3-carboxylic acid?
The IUPAC name of 2-amino-5,6-dihydro-4H-cyclopenta[b]thiophene-3-carboxylic acid (CID 5151249) is 2-amino-5,6-dihydro-4H-cyclopenta[b]thiophene-3-carboxylic acid.
What is the SMILES notation for 2-amino-5,6-dihydro-4H-cyclopenta[b]thiophene-3-carboxylic acid?
The canonical SMILES for 2-amino-5,6-dihydro-4H-cyclopenta[b]thiophene-3-carboxylic acid is Nc1sc2c(c1C(=O)O)CCC2.
What is the InChIKey of 2-amino-5,6-dihydro-4H-cyclopenta[b]thiophene-3-carboxylic acid?
The InChIKey is GYWYRJBGPKHKCX-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H9NO2S/c9-7-6(8(10)11)4-2-1-3-5(4)12-7/h1-3,9H2,(H,10,11).
What are the key properties of 2-amino-5,6-dihydro-4H-cyclopenta[b]thiophene-3-carboxylic acid?
2-amino-5,6-dihydro-4H-cyclopenta[b]thiophene-3-carboxylic acid has a molecular weight of 183.23 g/mol, XLogP of 1.52, 1 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-5,6-dihydro-4H-cyclopenta[b]thiophene-3-carboxylic acid is sourced from PubChem (CID 5151249), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).