2-[[cyclopropylmethyl(methyl)carbamoyl]amino]thiophene-3-carboxylic acid

C11H14N2O3S — CID 55168036

IUPAC2-[[cyclopropylmethyl(methyl)carbamoyl]amino]thiophene-3-carboxylic acid
SMILESCN(CC1CC1)C(=O)Nc1sccc1C(=O)O
InChIInChI=1S/C11H14N2O3S/c1-13(6-7-2-3-7)11(16)12-9-8(10(14)15)4-5-17-9/h4-5,7H,2-3,6H2,1H3,(H,12,16)(H,14,15)
InChIKeyYTBLOSDDPLINPC-UHFFFAOYSA-N
MW254.31 g/mol
LogP2.32
Rot. Bonds4

About 2-[[cyclopropylmethyl(methyl)carbamoyl]amino]thiophene-3-carboxylic acid

2-[[cyclopropylmethyl(methyl)carbamoyl]amino]thiophene-3-carboxylic acid (PubChem CID 55168036) has the molecular formula C11H14N2O3S and a molecular weight of 254.31 g/mol. Its IUPAC name is 2-[[cyclopropylmethyl(methyl)carbamoyl]amino]thiophene-3-carboxylic acid.

Molecular Properties

Compound Name2-[[cyclopropylmethyl(methyl)carbamoyl]amino]thiophene-3-carboxylic acid
PubChem CID55168036
Molecular FormulaC11H14N2O3S
Molecular Weight254.31 g/mol
Exact Mass254.07
IUPAC Name2-[[cyclopropylmethyl(methyl)carbamoyl]amino]thiophene-3-carboxylic acid
SMILESCN(CC1CC1)C(=O)Nc1sccc1C(=O)O
InChIInChI=1S/C11H14N2O3S/c1-13(6-7-2-3-7)11(16)12-9-8(10(14)15)4-5-17-9/h4-5,7H,2-3,6H2,1H3,(H,12,16)(H,14,15)
InChIKeyYTBLOSDDPLINPC-UHFFFAOYSA-N
XLogP2.32
TPSA69.64 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500254.31
LogP ≤ 52.32
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

2-[[cyclobutylmethyl(ethyl)carbamoyl]amino]thiophene-3-carboxylic acid
CID 107400010
2-[[2,2-dimethylpropyl(methyl)carbamoyl]amino]thiophene-3-carboxylic acid
CID 63114709
2-[[(2-amino-2-oxoethyl)-methylcarbamoyl]amino]thiophene-3-carboxylic acid
CID 63113966
2-[[methyl(2-methylpropyl)carbamoyl]amino]thiophene-3-carboxylic acid
CID 63114025
2-[[(1-ethylpiperidin-4-yl)-methylcarbamoyl]amino]thiophene-3-carboxylic acid
CID 63113816
2-[[3-methoxypropyl(methyl)carbamoyl]amino]thiophene-3-carboxylic acid
CID 63114506
2-[[methyl-(3-methylcyclohexyl)carbamoyl]amino]thiophene-3-carboxylic acid
CID 63114134
2-[[butan-2-yl(methyl)carbamoyl]amino]thiophene-3-carboxylic acid
CID 63114027
2-(dipropylcarbamoylamino)thiophene-3-carboxylic acid
CID 63113469
2-(cyclopropanecarbonylamino)thiophene-3-carboxylic acid
CID 16774057
2-[[cyclopentyl(2-hydroxyethyl)carbamoyl]amino]thiophene-3-carboxylic acid
CID 63114301
2-[[2-[methyl(methylsulfonyl)amino]acetyl]amino]thiophene-3-carboxylic acid
CID 167926285

Frequently Asked Questions

What is the IUPAC name of 2-[[cyclopropylmethyl(methyl)carbamoyl]amino]thiophene-3-carboxylic acid?
The IUPAC name of 2-[[cyclopropylmethyl(methyl)carbamoyl]amino]thiophene-3-carboxylic acid (CID 55168036) is 2-[[cyclopropylmethyl(methyl)carbamoyl]amino]thiophene-3-carboxylic acid.
What is the SMILES notation for 2-[[cyclopropylmethyl(methyl)carbamoyl]amino]thiophene-3-carboxylic acid?
The canonical SMILES for 2-[[cyclopropylmethyl(methyl)carbamoyl]amino]thiophene-3-carboxylic acid is CN(CC1CC1)C(=O)Nc1sccc1C(=O)O.
What is the InChIKey of 2-[[cyclopropylmethyl(methyl)carbamoyl]amino]thiophene-3-carboxylic acid?
The InChIKey is YTBLOSDDPLINPC-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H14N2O3S/c1-13(6-7-2-3-7)11(16)12-9-8(10(14)15)4-5-17-9/h4-5,7H,2-3,6H2,1H3,(H,12,16)(H,14,15).
What are the key properties of 2-[[cyclopropylmethyl(methyl)carbamoyl]amino]thiophene-3-carboxylic acid?
2-[[cyclopropylmethyl(methyl)carbamoyl]amino]thiophene-3-carboxylic acid has a molecular weight of 254.31 g/mol, XLogP of 2.32, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[cyclopropylmethyl(methyl)carbamoyl]amino]thiophene-3-carboxylic acid is sourced from PubChem (CID 55168036), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).