4-[(5-chlorothiophene-2-carbonyl)amino]cyclopent-2-ene-1-carboxylic acid

C11H10ClNO3S — CID 79210062

IUPAC4-[(5-chlorothiophene-2-carbonyl)amino]cyclopent-2-ene-1-carboxylic acid
SMILESO=C(NC1C=CC(C(=O)O)C1)c1ccc(Cl)s1
InChIInChI=1S/C11H10ClNO3S/c12-9-4-3-8(17-9)10(14)13-7-2-1-6(5-7)11(15)16/h1-4,6-7H,5H2,(H,13,14)(H,15,16)
InChIKeyMKADTVUGZBMIHD-UHFFFAOYSA-N
MW271.73 g/mol
LogP2.16
Rot. Bonds3

About 4-[(5-chlorothiophene-2-carbonyl)amino]cyclopent-2-ene-1-carboxylic acid

4-[(5-chlorothiophene-2-carbonyl)amino]cyclopent-2-ene-1-carboxylic acid (PubChem CID 79210062) has the molecular formula C11H10ClNO3S and a molecular weight of 271.73 g/mol. Its IUPAC name is 4-[(5-chlorothiophene-2-carbonyl)amino]cyclopent-2-ene-1-carboxylic acid.

Molecular Properties

Compound Name4-[(5-chlorothiophene-2-carbonyl)amino]cyclopent-2-ene-1-carboxylic acid
PubChem CID79210062
Molecular FormulaC11H10ClNO3S
Molecular Weight271.73 g/mol
Exact Mass271.01
IUPAC Name4-[(5-chlorothiophene-2-carbonyl)amino]cyclopent-2-ene-1-carboxylic acid
SMILESO=C(NC1C=CC(C(=O)O)C1)c1ccc(Cl)s1
InChIInChI=1S/C11H10ClNO3S/c12-9-4-3-8(17-9)10(14)13-7-2-1-6(5-7)11(15)16/h1-4,6-7H,5H2,(H,13,14)(H,15,16)
InChIKeyMKADTVUGZBMIHD-UHFFFAOYSA-N
XLogP2.16
TPSA66.40 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500271.73
LogP ≤ 52.16
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

Analyze 4-[(5-chlorothiophene-2-carbonyl)amino]cyclopent-2-ene-1-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

4-[(2-chlorobenzoyl)amino]cyclopent-2-ene-1-carboxylic acid
CID 79209654
(1R,4S)-4-benzamidocyclopent-2-ene-1-carboxylic acid
CID 18657670
4-[(6-chloropyridine-3-carbonyl)amino]cyclopent-2-ene-1-carboxylic acid
CID 79209667
4-[(2,6-dichloropyridine-3-carbonyl)amino]cyclopent-2-ene-1-carboxylic acid
CID 114036961
4-[(6-chloropyridine-2-carbonyl)amino]cyclopent-2-ene-1-carboxylic acid
CID 79208865
4-[(3-chloropyridine-4-carbonyl)amino]cyclopent-2-ene-1-carboxylic acid
CID 79210100
(2S)-4-[(5-chlorothiophene-2-carbonyl)amino]pyrrolidine-2-carboxylic acid
CID 69123830
4-[(2,5-dimethylthiophene-3-carbonyl)amino]cyclopent-2-ene-1-carboxylic acid
CID 79210197
(2S,4S)-4-[(5-chlorothiophene-2-carbonyl)amino]pyrrolidine-1,2-dicarboxylic acid
CID 90721203
(3R,4S)-4-[(5-chlorothiophene-2-carbonyl)amino]oxolane-3-carboxylic acid
CID 69438976
5-chloro-N-[4-(methylamino)cyclohexyl]thiophene-2-carboxamide
CID 79110894
4-(1-benzothiophene-3-carbonylamino)cyclopent-2-ene-1-carboxylic acid
CID 79209011

Frequently Asked Questions

What is the IUPAC name of 4-[(5-chlorothiophene-2-carbonyl)amino]cyclopent-2-ene-1-carboxylic acid?
The IUPAC name of 4-[(5-chlorothiophene-2-carbonyl)amino]cyclopent-2-ene-1-carboxylic acid (CID 79210062) is 4-[(5-chlorothiophene-2-carbonyl)amino]cyclopent-2-ene-1-carboxylic acid.
What is the SMILES notation for 4-[(5-chlorothiophene-2-carbonyl)amino]cyclopent-2-ene-1-carboxylic acid?
The canonical SMILES for 4-[(5-chlorothiophene-2-carbonyl)amino]cyclopent-2-ene-1-carboxylic acid is O=C(NC1C=CC(C(=O)O)C1)c1ccc(Cl)s1.
What is the InChIKey of 4-[(5-chlorothiophene-2-carbonyl)amino]cyclopent-2-ene-1-carboxylic acid?
The InChIKey is MKADTVUGZBMIHD-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H10ClNO3S/c12-9-4-3-8(17-9)10(14)13-7-2-1-6(5-7)11(15)16/h1-4,6-7H,5H2,(H,13,14)(H,15,16).
What are the key properties of 4-[(5-chlorothiophene-2-carbonyl)amino]cyclopent-2-ene-1-carboxylic acid?
4-[(5-chlorothiophene-2-carbonyl)amino]cyclopent-2-ene-1-carboxylic acid has a molecular weight of 271.73 g/mol, XLogP of 2.16, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(5-chlorothiophene-2-carbonyl)amino]cyclopent-2-ene-1-carboxylic acid is sourced from PubChem (CID 79210062), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).