2-(2-methylpropylcarbamoylamino)thiophene-3-carboxylic acid

C10H14N2O3S — CID 53397431

IUPAC2-(2-methylpropylcarbamoylamino)thiophene-3-carboxylic acid
SMILESCC(C)CNC(=O)Nc1sccc1C(=O)O
InChIInChI=1S/C10H14N2O3S/c1-6(2)5-11-10(15)12-8-7(9(13)14)3-4-16-8/h3-4,6H,5H2,1-2H3,(H,13,14)(H2,11,12,15)
InChIKeyRXKGHLZFOJVCJP-UHFFFAOYSA-N
MW242.30 g/mol
LogP2.22
Rot. Bonds4

About 2-(2-methylpropylcarbamoylamino)thiophene-3-carboxylic acid

2-(2-methylpropylcarbamoylamino)thiophene-3-carboxylic acid (PubChem CID 53397431) has the molecular formula C10H14N2O3S and a molecular weight of 242.30 g/mol. Its IUPAC name is 2-(2-methylpropylcarbamoylamino)thiophene-3-carboxylic acid.

Molecular Properties

Compound Name2-(2-methylpropylcarbamoylamino)thiophene-3-carboxylic acid
PubChem CID53397431
Molecular FormulaC10H14N2O3S
Molecular Weight242.30 g/mol
Exact Mass242.07
IUPAC Name2-(2-methylpropylcarbamoylamino)thiophene-3-carboxylic acid
SMILESCC(C)CNC(=O)Nc1sccc1C(=O)O
InChIInChI=1S/C10H14N2O3S/c1-6(2)5-11-10(15)12-8-7(9(13)14)3-4-16-8/h3-4,6H,5H2,1-2H3,(H,13,14)(H2,11,12,15)
InChIKeyRXKGHLZFOJVCJP-UHFFFAOYSA-N
XLogP2.22
TPSA78.43 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500242.30
LogP ≤ 52.22
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-(2-methylpropylcarbamoylamino)thiophene-3-carboxylic acid?
The IUPAC name of 2-(2-methylpropylcarbamoylamino)thiophene-3-carboxylic acid (CID 53397431) is 2-(2-methylpropylcarbamoylamino)thiophene-3-carboxylic acid.
What is the SMILES notation for 2-(2-methylpropylcarbamoylamino)thiophene-3-carboxylic acid?
The canonical SMILES for 2-(2-methylpropylcarbamoylamino)thiophene-3-carboxylic acid is CC(C)CNC(=O)Nc1sccc1C(=O)O.
What is the InChIKey of 2-(2-methylpropylcarbamoylamino)thiophene-3-carboxylic acid?
The InChIKey is RXKGHLZFOJVCJP-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H14N2O3S/c1-6(2)5-11-10(15)12-8-7(9(13)14)3-4-16-8/h3-4,6H,5H2,1-2H3,(H,13,14)(H2,11,12,15).
What are the key properties of 2-(2-methylpropylcarbamoylamino)thiophene-3-carboxylic acid?
2-(2-methylpropylcarbamoylamino)thiophene-3-carboxylic acid has a molecular weight of 242.30 g/mol, XLogP of 2.22, 4 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-methylpropylcarbamoylamino)thiophene-3-carboxylic acid is sourced from PubChem (CID 53397431), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).