1-(thiophen-3-ylmethylcarbamoyl)cyclopropane-1-carboxylic acid

C10H11NO3S — CID 63244240

IUPAC1-(thiophen-3-ylmethylcarbamoyl)cyclopropane-1-carboxylic acid
SMILESO=C(O)C1(C(=O)NCc2ccsc2)CC1
InChIInChI=1S/C10H11NO3S/c12-8(10(2-3-10)9(13)14)11-5-7-1-4-15-6-7/h1,4,6H,2-3,5H2,(H,11,12)(H,13,14)
InChIKeyREUXKVLNIZHTDW-UHFFFAOYSA-N
MW225.27 g/mol
LogP1.23
Rot. Bonds4

About 1-(thiophen-3-ylmethylcarbamoyl)cyclopropane-1-carboxylic acid

1-(thiophen-3-ylmethylcarbamoyl)cyclopropane-1-carboxylic acid (PubChem CID 63244240) has the molecular formula C10H11NO3S and a molecular weight of 225.27 g/mol. Its IUPAC name is 1-(thiophen-3-ylmethylcarbamoyl)cyclopropane-1-carboxylic acid.

Molecular Properties

Compound Name1-(thiophen-3-ylmethylcarbamoyl)cyclopropane-1-carboxylic acid
PubChem CID63244240
Molecular FormulaC10H11NO3S
Molecular Weight225.27 g/mol
Exact Mass225.05
IUPAC Name1-(thiophen-3-ylmethylcarbamoyl)cyclopropane-1-carboxylic acid
SMILESO=C(O)C1(C(=O)NCc2ccsc2)CC1
InChIInChI=1S/C10H11NO3S/c12-8(10(2-3-10)9(13)14)11-5-7-1-4-15-6-7/h1,4,6H,2-3,5H2,(H,11,12)(H,13,14)
InChIKeyREUXKVLNIZHTDW-UHFFFAOYSA-N
XLogP1.23
TPSA66.40 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500225.27
LogP ≤ 51.23
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'beta-keto/anhydride', 'substructure': 'N/A'}

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Related Compounds

1-(aminomethyl)-N-(thiophen-3-ylmethyl)cyclopentane-1-carboxamide
CID 81489545
1-[(Z)-N'-hydroxycarbamimidoyl]-3-methyl-N-(thiophen-3-ylmethyl)cyclobutane-1-carboxamide
CID 80594281
4-(aminomethyl)-N-(thiophen-3-ylmethyl)oxane-4-carboxamide;hydrochloride
CID 120923213
2-(thiophen-3-ylmethylcarbamoylamino)cyclopentane-1-carboxylic acid
CID 64816561
3-methyl-N-(thiophen-3-ylmethyl)pyrrolidine-3-carboxamide;hydrochloride
CID 119716336
1-[(4-fluorophenyl)methylcarbamoyl]cyclobutane-1-carboxylic acid
CID 62097119
3-(thiophen-3-ylmethylcarbamoylamino)propanoic acid
CID 63244721
1-[(3-methylphenyl)methylcarbamoyl]cyclopropane-1-carboxylic acid
CID 62096961
2-[1-(thiophen-3-ylmethylcarbamoylamino)cyclopentyl]acetic acid
CID 64700143
1-[(3,4-dimethoxyphenyl)methylcarbamoyl]cyclopropane-1-carboxylic acid
CID 62097486
1-(thiophen-3-ylmethyl)cyclopropane-1-carboxylic acid
CID 66025291
5-[(thiophen-3-ylmethylcarbamoylamino)methyl]pyridine-2-carboxylic acid
CID 81095921

Frequently Asked Questions

What is the IUPAC name of 1-(thiophen-3-ylmethylcarbamoyl)cyclopropane-1-carboxylic acid?
The IUPAC name of 1-(thiophen-3-ylmethylcarbamoyl)cyclopropane-1-carboxylic acid (CID 63244240) is 1-(thiophen-3-ylmethylcarbamoyl)cyclopropane-1-carboxylic acid.
What is the SMILES notation for 1-(thiophen-3-ylmethylcarbamoyl)cyclopropane-1-carboxylic acid?
The canonical SMILES for 1-(thiophen-3-ylmethylcarbamoyl)cyclopropane-1-carboxylic acid is O=C(O)C1(C(=O)NCc2ccsc2)CC1.
What is the InChIKey of 1-(thiophen-3-ylmethylcarbamoyl)cyclopropane-1-carboxylic acid?
The InChIKey is REUXKVLNIZHTDW-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H11NO3S/c12-8(10(2-3-10)9(13)14)11-5-7-1-4-15-6-7/h1,4,6H,2-3,5H2,(H,11,12)(H,13,14).
What are the key properties of 1-(thiophen-3-ylmethylcarbamoyl)cyclopropane-1-carboxylic acid?
1-(thiophen-3-ylmethylcarbamoyl)cyclopropane-1-carboxylic acid has a molecular weight of 225.27 g/mol, XLogP of 1.23, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(thiophen-3-ylmethylcarbamoyl)cyclopropane-1-carboxylic acid is sourced from PubChem (CID 63244240), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).