3-methyl-2-(thiophene-2-carbonylamino)butanoic acid

C10H13NO3S — CID 2771110

IUPAC3-methyl-2-(thiophene-2-carbonylamino)butanoic acid
SMILESCC(C)C(NC(=O)c1cccs1)C(=O)O
InChIInChI=1S/C10H13NO3S/c1-6(2)8(10(13)14)11-9(12)7-4-3-5-15-7/h3-6,8H,1-2H3,(H,11,12)(H,13,14)
InChIKeyRXZNSDOUKYEHDZ-UHFFFAOYSA-N
MW227.28 g/mol
LogP1.59
Rot. Bonds4

About 3-methyl-2-(thiophene-2-carbonylamino)butanoic acid

3-methyl-2-(thiophene-2-carbonylamino)butanoic acid (PubChem CID 2771110) has the molecular formula C10H13NO3S and a molecular weight of 227.28 g/mol. Its IUPAC name is 3-methyl-2-(thiophene-2-carbonylamino)butanoic acid.

Molecular Properties

Compound Name3-methyl-2-(thiophene-2-carbonylamino)butanoic acid
PubChem CID2771110
Molecular FormulaC10H13NO3S
Molecular Weight227.28 g/mol
Exact Mass227.06
IUPAC Name3-methyl-2-(thiophene-2-carbonylamino)butanoic acid
SMILESCC(C)C(NC(=O)c1cccs1)C(=O)O
InChIInChI=1S/C10H13NO3S/c1-6(2)8(10(13)14)11-9(12)7-4-3-5-15-7/h3-6,8H,1-2H3,(H,11,12)(H,13,14)
InChIKeyRXZNSDOUKYEHDZ-UHFFFAOYSA-N
XLogP1.59
TPSA66.40 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500227.28
LogP ≤ 51.59
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Analyze 3-methyl-2-(thiophene-2-carbonylamino)butanoic acid with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 3-methyl-2-(thiophene-2-carbonylamino)butanoic acid?
The IUPAC name of 3-methyl-2-(thiophene-2-carbonylamino)butanoic acid (CID 2771110) is 3-methyl-2-(thiophene-2-carbonylamino)butanoic acid.
What is the SMILES notation for 3-methyl-2-(thiophene-2-carbonylamino)butanoic acid?
The canonical SMILES for 3-methyl-2-(thiophene-2-carbonylamino)butanoic acid is CC(C)C(NC(=O)c1cccs1)C(=O)O.
What is the InChIKey of 3-methyl-2-(thiophene-2-carbonylamino)butanoic acid?
The InChIKey is RXZNSDOUKYEHDZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H13NO3S/c1-6(2)8(10(13)14)11-9(12)7-4-3-5-15-7/h3-6,8H,1-2H3,(H,11,12)(H,13,14).
What are the key properties of 3-methyl-2-(thiophene-2-carbonylamino)butanoic acid?
3-methyl-2-(thiophene-2-carbonylamino)butanoic acid has a molecular weight of 227.28 g/mol, XLogP of 1.59, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-methyl-2-(thiophene-2-carbonylamino)butanoic acid is sourced from PubChem (CID 2771110), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).