4-(1-thiophen-3-ylpropan-2-ylcarbamoylamino)cyclopent-2-ene-1-carboxylic acid

C14H18N2O3S — CID 79215973

IUPAC4-(1-thiophen-3-ylpropan-2-ylcarbamoylamino)cyclopent-2-ene-1-carboxylic acid
SMILESCC(Cc1ccsc1)NC(=O)NC1C=CC(C(=O)O)C1
InChIInChI=1S/C14H18N2O3S/c1-9(6-10-4-5-20-8-10)15-14(19)16-12-3-2-11(7-12)13(17)18/h2-5,8-9,11-12H,6-7H2,1H3,(H,17,18)(H2,15,16,19)
InChIKeyHJLCWBARJOIYNK-UHFFFAOYSA-N
MW294.38 g/mol
LogP2.01
Rot. Bonds5

About 4-(1-thiophen-3-ylpropan-2-ylcarbamoylamino)cyclopent-2-ene-1-carboxylic acid

4-(1-thiophen-3-ylpropan-2-ylcarbamoylamino)cyclopent-2-ene-1-carboxylic acid (PubChem CID 79215973) has the molecular formula C14H18N2O3S and a molecular weight of 294.38 g/mol. Its IUPAC name is 4-(1-thiophen-3-ylpropan-2-ylcarbamoylamino)cyclopent-2-ene-1-carboxylic acid.

Molecular Properties

Compound Name4-(1-thiophen-3-ylpropan-2-ylcarbamoylamino)cyclopent-2-ene-1-carboxylic acid
PubChem CID79215973
Molecular FormulaC14H18N2O3S
Molecular Weight294.38 g/mol
Exact Mass294.10
IUPAC Name4-(1-thiophen-3-ylpropan-2-ylcarbamoylamino)cyclopent-2-ene-1-carboxylic acid
SMILESCC(Cc1ccsc1)NC(=O)NC1C=CC(C(=O)O)C1
InChIInChI=1S/C14H18N2O3S/c1-9(6-10-4-5-20-8-10)15-14(19)16-12-3-2-11(7-12)13(17)18/h2-5,8-9,11-12H,6-7H2,1H3,(H,17,18)(H2,15,16,19)
InChIKeyHJLCWBARJOIYNK-UHFFFAOYSA-N
XLogP2.01
TPSA78.43 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500294.38
LogP ≤ 52.01
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

4-(1-thiophen-3-ylethylcarbamoylamino)cyclopent-2-ene-1-carboxylic acid
CID 79216506
4-[1-(5-methylthiophen-2-yl)propan-2-ylcarbamoylamino]cyclopent-2-ene-1-carboxylic acid
CID 79192276
2-(1-thiophen-3-ylpropan-2-ylcarbamoylamino)cyclohexane-1-carboxylic acid
CID 64816725
1-[(1R,2R)-2-(hydroxymethyl)cyclohexyl]-3-[(2R)-1-thiophen-3-ylpropan-2-yl]urea
CID 98787638
1-[(1S,2R)-2-(hydroxymethyl)cyclohexyl]-3-[(2R)-1-thiophen-3-ylpropan-2-yl]urea
CID 98787637
1-N-cyclopropyl-4-N-(1-thiophen-3-ylpropan-2-yl)benzene-1,4-dicarboxamide
CID 75390351
4-hydroxy-2-(1-thiophen-3-ylpropan-2-ylcarbamoylamino)butanoic acid
CID 61475780
(2R)-3,3-dimethyl-2-(1-thiophen-3-ylpropan-2-ylcarbamoylamino)butanoic acid
CID 103927769
2-hydroxy-3-(1-thiophen-3-ylpropan-2-ylcarbamoylamino)propanoic acid
CID 66165511
2-(1-thiophen-3-ylpropan-2-ylcarbamoylamino)thiophene-3-carboxylic acid
CID 63114746
(2S)-2-(1-thiophen-3-ylpropan-2-ylcarbamoylamino)pentanedioic acid
CID 61475692
2-[[2-(1-thiophen-3-ylpropan-2-ylcarbamoylamino)acetyl]amino]acetic acid
CID 61475979

Frequently Asked Questions

What is the IUPAC name of 4-(1-thiophen-3-ylpropan-2-ylcarbamoylamino)cyclopent-2-ene-1-carboxylic acid?
The IUPAC name of 4-(1-thiophen-3-ylpropan-2-ylcarbamoylamino)cyclopent-2-ene-1-carboxylic acid (CID 79215973) is 4-(1-thiophen-3-ylpropan-2-ylcarbamoylamino)cyclopent-2-ene-1-carboxylic acid.
What is the SMILES notation for 4-(1-thiophen-3-ylpropan-2-ylcarbamoylamino)cyclopent-2-ene-1-carboxylic acid?
The canonical SMILES for 4-(1-thiophen-3-ylpropan-2-ylcarbamoylamino)cyclopent-2-ene-1-carboxylic acid is CC(Cc1ccsc1)NC(=O)NC1C=CC(C(=O)O)C1.
What is the InChIKey of 4-(1-thiophen-3-ylpropan-2-ylcarbamoylamino)cyclopent-2-ene-1-carboxylic acid?
The InChIKey is HJLCWBARJOIYNK-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H18N2O3S/c1-9(6-10-4-5-20-8-10)15-14(19)16-12-3-2-11(7-12)13(17)18/h2-5,8-9,11-12H,6-7H2,1H3,(H,17,18)(H2,15,16,19).
What are the key properties of 4-(1-thiophen-3-ylpropan-2-ylcarbamoylamino)cyclopent-2-ene-1-carboxylic acid?
4-(1-thiophen-3-ylpropan-2-ylcarbamoylamino)cyclopent-2-ene-1-carboxylic acid has a molecular weight of 294.38 g/mol, XLogP of 2.01, 5 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(1-thiophen-3-ylpropan-2-ylcarbamoylamino)cyclopent-2-ene-1-carboxylic acid is sourced from PubChem (CID 79215973), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).