2-[[cyclobutylmethyl(ethyl)carbamoyl]amino]thiophene-3-carboxylic acid

C13H18N2O3S — CID 107400010

IUPAC2-[[cyclobutylmethyl(ethyl)carbamoyl]amino]thiophene-3-carboxylic acid
SMILESCCN(CC1CCC1)C(=O)Nc1sccc1C(=O)O
InChIInChI=1S/C13H18N2O3S/c1-2-15(8-9-4-3-5-9)13(18)14-11-10(12(16)17)6-7-19-11/h6-7,9H,2-5,8H2,1H3,(H,14,18)(H,16,17)
InChIKeyNAWKWJGYLQDGFA-UHFFFAOYSA-N
MW282.36 g/mol
LogP3.10
Rot. Bonds5

About 2-[[cyclobutylmethyl(ethyl)carbamoyl]amino]thiophene-3-carboxylic acid

2-[[cyclobutylmethyl(ethyl)carbamoyl]amino]thiophene-3-carboxylic acid (PubChem CID 107400010) has the molecular formula C13H18N2O3S and a molecular weight of 282.36 g/mol. Its IUPAC name is 2-[[cyclobutylmethyl(ethyl)carbamoyl]amino]thiophene-3-carboxylic acid.

Molecular Properties

Compound Name2-[[cyclobutylmethyl(ethyl)carbamoyl]amino]thiophene-3-carboxylic acid
PubChem CID107400010
Molecular FormulaC13H18N2O3S
Molecular Weight282.36 g/mol
Exact Mass282.10
IUPAC Name2-[[cyclobutylmethyl(ethyl)carbamoyl]amino]thiophene-3-carboxylic acid
SMILESCCN(CC1CCC1)C(=O)Nc1sccc1C(=O)O
InChIInChI=1S/C13H18N2O3S/c1-2-15(8-9-4-3-5-9)13(18)14-11-10(12(16)17)6-7-19-11/h6-7,9H,2-5,8H2,1H3,(H,14,18)(H,16,17)
InChIKeyNAWKWJGYLQDGFA-UHFFFAOYSA-N
XLogP3.10
TPSA69.64 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500282.36
LogP ≤ 53.10
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

2-[[cyclopropylmethyl(methyl)carbamoyl]amino]thiophene-3-carboxylic acid
CID 55168036
2-[[ethyl(propyl)carbamoyl]amino]thiophene-3-carboxylic acid
CID 63113991
2-[[cyclobutylmethyl(ethyl)carbamoyl]amino]benzoic acid
CID 107400204
2-(dipropylcarbamoylamino)thiophene-3-carboxylic acid
CID 63113469
2-[[ethyl-[2-(methylamino)-2-oxoethyl]carbamoyl]amino]thiophene-3-carboxylic acid
CID 55177506
2-chloro-5-[[cyclobutylmethyl(ethyl)carbamoyl]amino]benzoic acid
CID 107400209
5-[[cyclobutylmethyl(ethyl)carbamoyl]amino]-2-hydroxybenzoic acid
CID 107400253
2-[[cyclopentyl(2-hydroxyethyl)carbamoyl]amino]thiophene-3-carboxylic acid
CID 63114301
2-[[methyl-(3-methylcyclohexyl)carbamoyl]amino]thiophene-3-carboxylic acid
CID 63114134
2-[cyclobutylmethyl(ethyl)carbamoyl]benzoic acid
CID 107397528
2-[[(1-ethylpiperidin-4-yl)-methylcarbamoyl]amino]thiophene-3-carboxylic acid
CID 63113816
2-(3-cyclohexylpropanoylamino)thiophene-3-carboxylic acid
CID 29045233

Frequently Asked Questions

What is the IUPAC name of 2-[[cyclobutylmethyl(ethyl)carbamoyl]amino]thiophene-3-carboxylic acid?
The IUPAC name of 2-[[cyclobutylmethyl(ethyl)carbamoyl]amino]thiophene-3-carboxylic acid (CID 107400010) is 2-[[cyclobutylmethyl(ethyl)carbamoyl]amino]thiophene-3-carboxylic acid.
What is the SMILES notation for 2-[[cyclobutylmethyl(ethyl)carbamoyl]amino]thiophene-3-carboxylic acid?
The canonical SMILES for 2-[[cyclobutylmethyl(ethyl)carbamoyl]amino]thiophene-3-carboxylic acid is CCN(CC1CCC1)C(=O)Nc1sccc1C(=O)O.
What is the InChIKey of 2-[[cyclobutylmethyl(ethyl)carbamoyl]amino]thiophene-3-carboxylic acid?
The InChIKey is NAWKWJGYLQDGFA-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H18N2O3S/c1-2-15(8-9-4-3-5-9)13(18)14-11-10(12(16)17)6-7-19-11/h6-7,9H,2-5,8H2,1H3,(H,14,18)(H,16,17).
What are the key properties of 2-[[cyclobutylmethyl(ethyl)carbamoyl]amino]thiophene-3-carboxylic acid?
2-[[cyclobutylmethyl(ethyl)carbamoyl]amino]thiophene-3-carboxylic acid has a molecular weight of 282.36 g/mol, XLogP of 3.10, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[cyclobutylmethyl(ethyl)carbamoyl]amino]thiophene-3-carboxylic acid is sourced from PubChem (CID 107400010), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).