4-[[methyl(thiophen-2-ylmethyl)carbamoyl]amino]cyclopent-2-ene-1-carboxylic acid

C13H16N2O3S — CID 79216332

IUPAC4-[[methyl(thiophen-2-ylmethyl)carbamoyl]amino]cyclopent-2-ene-1-carboxylic acid
SMILESCN(Cc1cccs1)C(=O)NC1C=CC(C(=O)O)C1
InChIInChI=1S/C13H16N2O3S/c1-15(8-11-3-2-6-19-11)13(18)14-10-5-4-9(7-10)12(16)17/h2-6,9-10H,7-8H2,1H3,(H,14,18)(H,16,17)
InChIKeyJRWRKQKRTQULAB-UHFFFAOYSA-N
MW280.35 g/mol
LogP1.92
Rot. Bonds4

About 4-[[methyl(thiophen-2-ylmethyl)carbamoyl]amino]cyclopent-2-ene-1-carboxylic acid

4-[[methyl(thiophen-2-ylmethyl)carbamoyl]amino]cyclopent-2-ene-1-carboxylic acid (PubChem CID 79216332) has the molecular formula C13H16N2O3S and a molecular weight of 280.35 g/mol. Its IUPAC name is 4-[[methyl(thiophen-2-ylmethyl)carbamoyl]amino]cyclopent-2-ene-1-carboxylic acid.

Molecular Properties

Compound Name4-[[methyl(thiophen-2-ylmethyl)carbamoyl]amino]cyclopent-2-ene-1-carboxylic acid
PubChem CID79216332
Molecular FormulaC13H16N2O3S
Molecular Weight280.35 g/mol
Exact Mass280.09
IUPAC Name4-[[methyl(thiophen-2-ylmethyl)carbamoyl]amino]cyclopent-2-ene-1-carboxylic acid
SMILESCN(Cc1cccs1)C(=O)NC1C=CC(C(=O)O)C1
InChIInChI=1S/C13H16N2O3S/c1-15(8-11-3-2-6-19-11)13(18)14-10-5-4-9(7-10)12(16)17/h2-6,9-10H,7-8H2,1H3,(H,14,18)(H,16,17)
InChIKeyJRWRKQKRTQULAB-UHFFFAOYSA-N
XLogP1.92
TPSA69.64 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500280.35
LogP ≤ 51.92
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

Analyze 4-[[methyl(thiophen-2-ylmethyl)carbamoyl]amino]cyclopent-2-ene-1-carboxylic acid with MolForge

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Related Compounds

4-(3-thiophen-2-ylpropanoylamino)cyclopent-2-ene-1-carboxylic acid
CID 79209434
1-methyl-3-phenyl-1-(thiophen-2-ylmethyl)urea
CID 27868226
3-methyl-4-[[methyl(thiophen-2-ylmethyl)carbamoyl]amino]oxolane-3-carboxylic acid
CID 66250152
3-ethyl-1-methyl-1-(thiophen-2-ylmethyl)urea
CID 53016484
2-[2-[[methyl(thiophen-2-ylmethyl)carbamoyl]amino]-2-oxoethoxy]acetic acid
CID 61329457
4-[[[methyl(thiophen-2-ylmethyl)carbamoyl]amino]methyl]oxane-4-carboxylic acid
CID 115440346
3-methyl-3-[[methyl(thiophen-2-ylmethyl)carbamoyl]amino]butanoic acid
CID 64699675
2-[methyl(thiophen-2-ylmethyl)carbamoyl]cyclohexane-1-carboxylic acid
CID 43396486
4-[[methyl(thiophen-2-ylmethyl)carbamoyl]amino]butanoic acid
CID 61197339
5-[[methyl(thiophen-2-ylmethyl)carbamoyl]amino]-5-oxopentanoic acid
CID 43527721
4-[[(3-fluorophenyl)-methylcarbamoyl]amino]cyclopent-2-ene-1-carboxylic acid
CID 79216576
4-amino-N-methyl-N-(thiophen-2-ylmethyl)cyclohexane-1-carboxamide
CID 54928756

Frequently Asked Questions

What is the IUPAC name of 4-[[methyl(thiophen-2-ylmethyl)carbamoyl]amino]cyclopent-2-ene-1-carboxylic acid?
The IUPAC name of 4-[[methyl(thiophen-2-ylmethyl)carbamoyl]amino]cyclopent-2-ene-1-carboxylic acid (CID 79216332) is 4-[[methyl(thiophen-2-ylmethyl)carbamoyl]amino]cyclopent-2-ene-1-carboxylic acid.
What is the SMILES notation for 4-[[methyl(thiophen-2-ylmethyl)carbamoyl]amino]cyclopent-2-ene-1-carboxylic acid?
The canonical SMILES for 4-[[methyl(thiophen-2-ylmethyl)carbamoyl]amino]cyclopent-2-ene-1-carboxylic acid is CN(Cc1cccs1)C(=O)NC1C=CC(C(=O)O)C1.
What is the InChIKey of 4-[[methyl(thiophen-2-ylmethyl)carbamoyl]amino]cyclopent-2-ene-1-carboxylic acid?
The InChIKey is JRWRKQKRTQULAB-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H16N2O3S/c1-15(8-11-3-2-6-19-11)13(18)14-10-5-4-9(7-10)12(16)17/h2-6,9-10H,7-8H2,1H3,(H,14,18)(H,16,17).
What are the key properties of 4-[[methyl(thiophen-2-ylmethyl)carbamoyl]amino]cyclopent-2-ene-1-carboxylic acid?
4-[[methyl(thiophen-2-ylmethyl)carbamoyl]amino]cyclopent-2-ene-1-carboxylic acid has a molecular weight of 280.35 g/mol, XLogP of 1.92, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[[methyl(thiophen-2-ylmethyl)carbamoyl]amino]cyclopent-2-ene-1-carboxylic acid is sourced from PubChem (CID 79216332), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).