4-[[3-(cyclopentylcarbamoyl)thiophen-2-yl]amino]-4-oxobutanoic acid

C14H18N2O4S — CID 6468323

IUPAC4-[[3-(cyclopentylcarbamoyl)thiophen-2-yl]amino]-4-oxobutanoic acid
SMILESO=C(O)CCC(=O)Nc1sccc1C(=O)NC1CCCC1
InChIInChI=1S/C14H18N2O4S/c17-11(5-6-12(18)19)16-14-10(7-8-21-14)13(20)15-9-3-1-2-4-9/h7-9H,1-6H2,(H,15,20)(H,16,17)(H,18,19)
InChIKeyRGZZGBQEWAHHJA-UHFFFAOYSA-N
MW310.38 g/mol
LogP2.22
Rot. Bonds6

About 4-[[3-(cyclopentylcarbamoyl)thiophen-2-yl]amino]-4-oxobutanoic acid

4-[[3-(cyclopentylcarbamoyl)thiophen-2-yl]amino]-4-oxobutanoic acid (PubChem CID 6468323) has the molecular formula C14H18N2O4S and a molecular weight of 310.38 g/mol. Its IUPAC name is 4-[[3-(cyclopentylcarbamoyl)thiophen-2-yl]amino]-4-oxobutanoic acid.

Molecular Properties

Compound Name4-[[3-(cyclopentylcarbamoyl)thiophen-2-yl]amino]-4-oxobutanoic acid
PubChem CID6468323
Molecular FormulaC14H18N2O4S
Molecular Weight310.38 g/mol
Exact Mass310.10
IUPAC Name4-[[3-(cyclopentylcarbamoyl)thiophen-2-yl]amino]-4-oxobutanoic acid
SMILESO=C(O)CCC(=O)Nc1sccc1C(=O)NC1CCCC1
InChIInChI=1S/C14H18N2O4S/c17-11(5-6-12(18)19)16-14-10(7-8-21-14)13(20)15-9-3-1-2-4-9/h7-9H,1-6H2,(H,15,20)(H,16,17)(H,18,19)
InChIKeyRGZZGBQEWAHHJA-UHFFFAOYSA-N
XLogP2.22
TPSA95.50 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500310.38
LogP ≤ 52.22
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

Analyze 4-[[3-(cyclopentylcarbamoyl)thiophen-2-yl]amino]-4-oxobutanoic 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

(1R,2R,3R,4R)-3-[[3-(cyclopentylcarbamoyl)thiophen-2-yl]carbamoyl]-7-oxabicyclo[2.2.1]heptane-2-carboxylic acid
CID 100742899
(1R,2R,3S,4R)-3-[[3-(cyclopentylcarbamoyl)thiophen-2-yl]carbamoyl]-7-oxabicyclo[2.2.1]heptane-2-carboxylic acid
CID 124712476
N-cyclopropyl-2-[3-(4-nitrophenoxy)propanoylamino]thiophene-3-carboxamide
CID 60590919
2-(3-cyclohexylpropanoylamino)thiophene-3-carboxylic acid
CID 29045233
4-[[3-[(2-fluorophenyl)carbamoyl]thiophen-2-yl]amino]-4-oxobutanoic acid
CID 6469123
methyl N-[2-[[3-(cyclopropylcarbamoyl)thiophen-2-yl]amino]-2-oxoethyl]-N-methylcarbamate
CID 71936867
5-[2-(cyclohexylcarbamoyl)anilino]-5-oxopentanoic acid
CID 4949663
4-[[3-(cyclopentylcarbamoyl)-4-ethyl-5-methylthiophen-2-yl]amino]-4-oxobutanoic acid
CID 6465710
2-[3-(cyclopropylamino)propanoylamino]thiophene-3-carboxamide
CID 61253475
2-(4-cyclohexylbutanoylamino)thiophene-3-carboxylic acid
CID 43357298
(1R,2R,3S,4R)-3-[[3-(cyclopropylcarbamoyl)thiophen-2-yl]carbamoyl]-7-oxabicyclo[2.2.1]heptane-2-carboxylic acid
CID 124714469
4-(cycloheptylamino)-4-oxobutanoic acid
CID 2932888

Frequently Asked Questions

What is the IUPAC name of 4-[[3-(cyclopentylcarbamoyl)thiophen-2-yl]amino]-4-oxobutanoic acid?
The IUPAC name of 4-[[3-(cyclopentylcarbamoyl)thiophen-2-yl]amino]-4-oxobutanoic acid (CID 6468323) is 4-[[3-(cyclopentylcarbamoyl)thiophen-2-yl]amino]-4-oxobutanoic acid.
What is the SMILES notation for 4-[[3-(cyclopentylcarbamoyl)thiophen-2-yl]amino]-4-oxobutanoic acid?
The canonical SMILES for 4-[[3-(cyclopentylcarbamoyl)thiophen-2-yl]amino]-4-oxobutanoic acid is O=C(O)CCC(=O)Nc1sccc1C(=O)NC1CCCC1.
What is the InChIKey of 4-[[3-(cyclopentylcarbamoyl)thiophen-2-yl]amino]-4-oxobutanoic acid?
The InChIKey is RGZZGBQEWAHHJA-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H18N2O4S/c17-11(5-6-12(18)19)16-14-10(7-8-21-14)13(20)15-9-3-1-2-4-9/h7-9H,1-6H2,(H,15,20)(H,16,17)(H,18,19).
What are the key properties of 4-[[3-(cyclopentylcarbamoyl)thiophen-2-yl]amino]-4-oxobutanoic acid?
4-[[3-(cyclopentylcarbamoyl)thiophen-2-yl]amino]-4-oxobutanoic acid has a molecular weight of 310.38 g/mol, XLogP of 2.22, 6 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[[3-(cyclopentylcarbamoyl)thiophen-2-yl]amino]-4-oxobutanoic acid is sourced from PubChem (CID 6468323), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).