2-(thiophen-3-ylmethylcarbamoylamino)cyclopentane-1-carboxylic acid

C12H16N2O3S — CID 64816561

IUPAC2-(thiophen-3-ylmethylcarbamoylamino)cyclopentane-1-carboxylic acid
SMILESO=C(NCc1ccsc1)NC1CCCC1C(=O)O
InChIInChI=1S/C12H16N2O3S/c15-11(16)9-2-1-3-10(9)14-12(17)13-6-8-4-5-18-7-8/h4-5,7,9-10H,1-3,6H2,(H,15,16)(H2,13,14,17)
InChIKeyRRMCZSFJUFEYBR-UHFFFAOYSA-N
MW268.34 g/mol
LogP1.80
Rot. Bonds4

About 2-(thiophen-3-ylmethylcarbamoylamino)cyclopentane-1-carboxylic acid

2-(thiophen-3-ylmethylcarbamoylamino)cyclopentane-1-carboxylic acid (PubChem CID 64816561) has the molecular formula C12H16N2O3S and a molecular weight of 268.34 g/mol. Its IUPAC name is 2-(thiophen-3-ylmethylcarbamoylamino)cyclopentane-1-carboxylic acid.

Molecular Properties

Compound Name2-(thiophen-3-ylmethylcarbamoylamino)cyclopentane-1-carboxylic acid
PubChem CID64816561
Molecular FormulaC12H16N2O3S
Molecular Weight268.34 g/mol
Exact Mass268.09
IUPAC Name2-(thiophen-3-ylmethylcarbamoylamino)cyclopentane-1-carboxylic acid
SMILESO=C(NCc1ccsc1)NC1CCCC1C(=O)O
InChIInChI=1S/C12H16N2O3S/c15-11(16)9-2-1-3-10(9)14-12(17)13-6-8-4-5-18-7-8/h4-5,7,9-10H,1-3,6H2,(H,15,16)(H2,13,14,17)
InChIKeyRRMCZSFJUFEYBR-UHFFFAOYSA-N
XLogP1.80
TPSA78.43 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500268.34
LogP ≤ 51.80
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

Analyze 2-(thiophen-3-ylmethylcarbamoylamino)cyclopentane-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

2-(2-thiophen-3-ylethylcarbamoylamino)cyclohexane-1-carboxylic acid
CID 64816532
2-[(4-methylphenyl)methylcarbamoylamino]cyclopentane-1-carboxylic acid
CID 64817088
2-(1-thiophen-3-ylpropan-2-ylcarbamoylamino)cyclohexane-1-carboxylic acid
CID 64816725
2-[(5-bromothiophen-2-yl)methylcarbamoylamino]cyclopentane-1-carboxylic acid
CID 64817149
1-(thiophen-3-ylmethylcarbamoyl)cyclopropane-1-carboxylic acid
CID 63244240
2-[(2-fluorophenyl)methylcarbamoylamino]cyclopentane-1-carboxylic acid
CID 64818051
trans-(1R,2R)-2-(thiophen-3-ylmethylamino)cyclohexane-1-carboxamide
CID 99636903
2-(1,2-oxazol-5-ylmethylcarbamoylamino)cyclohexane-1-carboxylic acid
CID 106421097
2-[(5-ethylthiophen-2-yl)methylcarbamoylamino]cyclohexane-1-carboxylic acid
CID 106005548
2-[(2-methoxy-4-pyridinyl)methylcarbamoylamino]cyclopentane-1-carboxylic acid
CID 64815599
1-(2-oxo-1-phenylpyrrolidin-3-yl)-3-(thiophen-3-ylmethyl)urea
CID 71876955
2-[(2-bromophenyl)methylcarbamoylamino]cyclohexane-1-carboxylic acid
CID 64817497

Frequently Asked Questions

What is the IUPAC name of 2-(thiophen-3-ylmethylcarbamoylamino)cyclopentane-1-carboxylic acid?
The IUPAC name of 2-(thiophen-3-ylmethylcarbamoylamino)cyclopentane-1-carboxylic acid (CID 64816561) is 2-(thiophen-3-ylmethylcarbamoylamino)cyclopentane-1-carboxylic acid.
What is the SMILES notation for 2-(thiophen-3-ylmethylcarbamoylamino)cyclopentane-1-carboxylic acid?
The canonical SMILES for 2-(thiophen-3-ylmethylcarbamoylamino)cyclopentane-1-carboxylic acid is O=C(NCc1ccsc1)NC1CCCC1C(=O)O.
What is the InChIKey of 2-(thiophen-3-ylmethylcarbamoylamino)cyclopentane-1-carboxylic acid?
The InChIKey is RRMCZSFJUFEYBR-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H16N2O3S/c15-11(16)9-2-1-3-10(9)14-12(17)13-6-8-4-5-18-7-8/h4-5,7,9-10H,1-3,6H2,(H,15,16)(H2,13,14,17).
What are the key properties of 2-(thiophen-3-ylmethylcarbamoylamino)cyclopentane-1-carboxylic acid?
2-(thiophen-3-ylmethylcarbamoylamino)cyclopentane-1-carboxylic acid has a molecular weight of 268.34 g/mol, XLogP of 1.80, 4 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(thiophen-3-ylmethylcarbamoylamino)cyclopentane-1-carboxylic acid is sourced from PubChem (CID 64816561), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).