1-(1-thiophen-2-ylpropylcarbamoyl)cyclopropane-1-carboxylic acid

C12H15NO3S — CID 62096618

IUPAC1-(1-thiophen-2-ylpropylcarbamoyl)cyclopropane-1-carboxylic acid
SMILESCCC(NC(=O)C1(C(=O)O)CC1)c1cccs1
InChIInChI=1S/C12H15NO3S/c1-2-8(9-4-3-7-17-9)13-10(14)12(5-6-12)11(15)16/h3-4,7-8H,2,5-6H2,1H3,(H,13,14)(H,15,16)
InChIKeyQNBSTJUQEPTZCH-UHFFFAOYSA-N
MW253.32 g/mol
LogP2.18
Rot. Bonds5

About 1-(1-thiophen-2-ylpropylcarbamoyl)cyclopropane-1-carboxylic acid

1-(1-thiophen-2-ylpropylcarbamoyl)cyclopropane-1-carboxylic acid (PubChem CID 62096618) has the molecular formula C12H15NO3S and a molecular weight of 253.32 g/mol. Its IUPAC name is 1-(1-thiophen-2-ylpropylcarbamoyl)cyclopropane-1-carboxylic acid.

Molecular Properties

Compound Name1-(1-thiophen-2-ylpropylcarbamoyl)cyclopropane-1-carboxylic acid
PubChem CID62096618
Molecular FormulaC12H15NO3S
Molecular Weight253.32 g/mol
Exact Mass253.08
IUPAC Name1-(1-thiophen-2-ylpropylcarbamoyl)cyclopropane-1-carboxylic acid
SMILESCCC(NC(=O)C1(C(=O)O)CC1)c1cccs1
InChIInChI=1S/C12H15NO3S/c1-2-8(9-4-3-7-17-9)13-10(14)12(5-6-12)11(15)16/h3-4,7-8H,2,5-6H2,1H3,(H,13,14)(H,15,16)
InChIKeyQNBSTJUQEPTZCH-UHFFFAOYSA-N
XLogP2.18
TPSA66.40 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500253.32
LogP ≤ 52.18
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

2-methyl-N-(1-thiophen-2-ylpropyl)propanamide
CID 61073106
1-benzyl-3-(1-thiophen-2-ylpropyl)urea
CID 47322594
[1-[(1-thiophen-2-ylpropylamino)methyl]cyclopentyl]methanol
CID 115358763
1-[(1-hydroxycyclopentyl)methyl]-3-(1-thiophen-2-ylpropyl)urea
CID 111104096
2-[1-(1-thiophen-2-ylpropylcarbamoylamino)cyclobutyl]acetic acid
CID 79851534
2-bromo-N-(1-thiophen-2-ylpropyl)acetamide
CID 63678603
[1-[(1-thiophen-2-ylpropylamino)methyl]cyclohexyl]methanol
CID 81419823
2-[1-(methylamino)cyclohexyl]-N-(1-thiophen-2-ylpropyl)acetamide
CID 65241939
1-carbamothioyl-N-(1-thiophen-2-ylbutyl)cyclobutane-1-carboxamide
CID 80589308
2-bromo-N-(1-thiophen-2-ylpropyl)propanamide
CID 82110517
1-(4-methoxyanilino)-N-(1-thiophen-2-ylpropyl)cyclohexane-1-carboxamide
CID 131949619
4-[(1-thiophen-2-ylpropylamino)methyl]cyclohexane-1-carboxylic acid
CID 79532736

Frequently Asked Questions

What is the IUPAC name of 1-(1-thiophen-2-ylpropylcarbamoyl)cyclopropane-1-carboxylic acid?
The IUPAC name of 1-(1-thiophen-2-ylpropylcarbamoyl)cyclopropane-1-carboxylic acid (CID 62096618) is 1-(1-thiophen-2-ylpropylcarbamoyl)cyclopropane-1-carboxylic acid.
What is the SMILES notation for 1-(1-thiophen-2-ylpropylcarbamoyl)cyclopropane-1-carboxylic acid?
The canonical SMILES for 1-(1-thiophen-2-ylpropylcarbamoyl)cyclopropane-1-carboxylic acid is CCC(NC(=O)C1(C(=O)O)CC1)c1cccs1.
What is the InChIKey of 1-(1-thiophen-2-ylpropylcarbamoyl)cyclopropane-1-carboxylic acid?
The InChIKey is QNBSTJUQEPTZCH-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H15NO3S/c1-2-8(9-4-3-7-17-9)13-10(14)12(5-6-12)11(15)16/h3-4,7-8H,2,5-6H2,1H3,(H,13,14)(H,15,16).
What are the key properties of 1-(1-thiophen-2-ylpropylcarbamoyl)cyclopropane-1-carboxylic acid?
1-(1-thiophen-2-ylpropylcarbamoyl)cyclopropane-1-carboxylic acid has a molecular weight of 253.32 g/mol, XLogP of 2.18, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(1-thiophen-2-ylpropylcarbamoyl)cyclopropane-1-carboxylic acid is sourced from PubChem (CID 62096618), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).