4-[[3-(cyclopentylcarbamoyl)-4-ethyl-5-methylthiophen-2-yl]amino]-4-oxobutanoic acid

C17H24N2O4S — CID 6465710

IUPAC4-[[3-(cyclopentylcarbamoyl)-4-ethyl-5-methylthiophen-2-yl]amino]-4-oxobutanoic acid
SMILESCCc1c(C)sc(NC(=O)CCC(=O)O)c1C(=O)NC1CCCC1
InChIInChI=1S/C17H24N2O4S/c1-3-12-10(2)24-17(19-13(20)8-9-14(21)22)15(12)16(23)18-11-6-4-5-7-11/h11H,3-9H2,1-2H3,(H,18,23)(H,19,20)(H,21,22)
InChIKeyXXZUYXXPFKWMSQ-UHFFFAOYSA-N
MW352.46 g/mol
LogP3.09
Rot. Bonds7

About 4-[[3-(cyclopentylcarbamoyl)-4-ethyl-5-methylthiophen-2-yl]amino]-4-oxobutanoic acid

4-[[3-(cyclopentylcarbamoyl)-4-ethyl-5-methylthiophen-2-yl]amino]-4-oxobutanoic acid (PubChem CID 6465710) has the molecular formula C17H24N2O4S and a molecular weight of 352.46 g/mol. Its IUPAC name is 4-[[3-(cyclopentylcarbamoyl)-4-ethyl-5-methylthiophen-2-yl]amino]-4-oxobutanoic acid.

Molecular Properties

Compound Name4-[[3-(cyclopentylcarbamoyl)-4-ethyl-5-methylthiophen-2-yl]amino]-4-oxobutanoic acid
PubChem CID6465710
Molecular FormulaC17H24N2O4S
Molecular Weight352.46 g/mol
Exact Mass352.15
IUPAC Name4-[[3-(cyclopentylcarbamoyl)-4-ethyl-5-methylthiophen-2-yl]amino]-4-oxobutanoic acid
SMILESCCc1c(C)sc(NC(=O)CCC(=O)O)c1C(=O)NC1CCCC1
InChIInChI=1S/C17H24N2O4S/c1-3-12-10(2)24-17(19-13(20)8-9-14(21)22)15(12)16(23)18-11-6-4-5-7-11/h11H,3-9H2,1-2H3,(H,18,23)(H,19,20)(H,21,22)
InChIKeyXXZUYXXPFKWMSQ-UHFFFAOYSA-N
XLogP3.09
TPSA95.50 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500352.46
LogP ≤ 53.09
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

Analyze 4-[[3-(cyclopentylcarbamoyl)-4-ethyl-5-methylthiophen-2-yl]amino]-4-oxobutanoic acid with MolForge

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Related Compounds

(2R,3R)-3-[[3-(cyclopentylcarbamoyl)-4-ethyl-5-methylthiophen-2-yl]carbamoyl]bicyclo[2.2.2]octane-2-carboxylic acid
CID 27527054
(1R,6S)-6-[[3-(cyclopropylcarbamoyl)-4-ethyl-5-methylthiophen-2-yl]carbamoyl]-3,4-dimethylcyclohex-3-ene-1-carboxylic acid
CID 27522733
N-[3-(cyclohexylcarbamoyl)-4-ethyl-5-methylthiophen-2-yl]-1-ethylpyrazole-3-carboxamide
CID 17373078
4-[[6-tert-butyl-3-(cyclopentylcarbamoyl)-4,5,6,7-tetrahydro-1-benzothiophen-2-yl]amino]-4-oxobutanoic acid
CID 17377059
N-[3-(cyclopropylcarbamoyl)-4-ethyl-5-methylthiophen-2-yl]-3-ethyl-5-methyl-1,2-oxazole-4-carboxamide
CID 17173725
4-[[3-(cyclopentylcarbamoyl)thiophen-2-yl]amino]-4-oxobutanoic acid
CID 6468323
5-[[3-(cyclohexylcarbamoyl)-6-methyl-4,5,6,7-tetrahydro-1-benzothiophen-2-yl]amino]-5-oxopentanoic acid
CID 17377066
5-[[3-(benzylcarbamoyl)-4-ethyl-5-methylthiophen-2-yl]amino]-5-oxopentanoic acid
CID 17377650
4-(cycloheptylamino)-4-oxobutanoic acid
CID 2932888
4-ethyl-5-methyl-2-(propanoylamino)thiophene-3-carboxylic acid
CID 843835
ethyl 4-(cycloheptylcarbamoyl)-3-ethyl-5-methyl-1H-pyrrole-2-carboxylate
CID 20969693
2-[[3-[(4-chlorophenyl)carbamoyl]-4-ethyl-5-methylthiophen-2-yl]carbamoyl]cyclohexane-1-carboxylic acid
CID 17377477

Frequently Asked Questions

What is the IUPAC name of 4-[[3-(cyclopentylcarbamoyl)-4-ethyl-5-methylthiophen-2-yl]amino]-4-oxobutanoic acid?
The IUPAC name of 4-[[3-(cyclopentylcarbamoyl)-4-ethyl-5-methylthiophen-2-yl]amino]-4-oxobutanoic acid (CID 6465710) is 4-[[3-(cyclopentylcarbamoyl)-4-ethyl-5-methylthiophen-2-yl]amino]-4-oxobutanoic acid.
What is the SMILES notation for 4-[[3-(cyclopentylcarbamoyl)-4-ethyl-5-methylthiophen-2-yl]amino]-4-oxobutanoic acid?
The canonical SMILES for 4-[[3-(cyclopentylcarbamoyl)-4-ethyl-5-methylthiophen-2-yl]amino]-4-oxobutanoic acid is CCc1c(C)sc(NC(=O)CCC(=O)O)c1C(=O)NC1CCCC1.
What is the InChIKey of 4-[[3-(cyclopentylcarbamoyl)-4-ethyl-5-methylthiophen-2-yl]amino]-4-oxobutanoic acid?
The InChIKey is XXZUYXXPFKWMSQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H24N2O4S/c1-3-12-10(2)24-17(19-13(20)8-9-14(21)22)15(12)16(23)18-11-6-4-5-7-11/h11H,3-9H2,1-2H3,(H,18,23)(H,19,20)(H,21,22).
What are the key properties of 4-[[3-(cyclopentylcarbamoyl)-4-ethyl-5-methylthiophen-2-yl]amino]-4-oxobutanoic acid?
4-[[3-(cyclopentylcarbamoyl)-4-ethyl-5-methylthiophen-2-yl]amino]-4-oxobutanoic acid has a molecular weight of 352.46 g/mol, XLogP of 3.09, 7 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[[3-(cyclopentylcarbamoyl)-4-ethyl-5-methylthiophen-2-yl]amino]-4-oxobutanoic acid is sourced from PubChem (CID 6465710), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).