4-hydroxy-2-(thiophene-3-carbonylamino)butanoic acid

C9H11NO4S — CID 61244362

IUPAC4-hydroxy-2-(thiophene-3-carbonylamino)butanoic acid
SMILESO=C(NC(CCO)C(=O)O)c1ccsc1
InChIInChI=1S/C9H11NO4S/c11-3-1-7(9(13)14)10-8(12)6-2-4-15-5-6/h2,4-5,7,11H,1,3H2,(H,10,12)(H,13,14)
InChIKeyCQBGNRSKHCBQGQ-UHFFFAOYSA-N
MW229.26 g/mol
LogP0.31
Rot. Bonds5

About 4-hydroxy-2-(thiophene-3-carbonylamino)butanoic acid

4-hydroxy-2-(thiophene-3-carbonylamino)butanoic acid (PubChem CID 61244362) has the molecular formula C9H11NO4S and a molecular weight of 229.26 g/mol. Its IUPAC name is 4-hydroxy-2-(thiophene-3-carbonylamino)butanoic acid.

Molecular Properties

Compound Name4-hydroxy-2-(thiophene-3-carbonylamino)butanoic acid
PubChem CID61244362
Molecular FormulaC9H11NO4S
Molecular Weight229.26 g/mol
Exact Mass229.04
IUPAC Name4-hydroxy-2-(thiophene-3-carbonylamino)butanoic acid
SMILESO=C(NC(CCO)C(=O)O)c1ccsc1
InChIInChI=1S/C9H11NO4S/c11-3-1-7(9(13)14)10-8(12)6-2-4-15-5-6/h2,4-5,7,11H,1,3H2,(H,10,12)(H,13,14)
InChIKeyCQBGNRSKHCBQGQ-UHFFFAOYSA-N
XLogP0.31
TPSA86.63 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500229.26
LogP ≤ 50.31
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

Analyze 4-hydroxy-2-(thiophene-3-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

Related Compounds

(2S)-2-(thiophene-3-carbonylamino)pentanoic acid
CID 107564268
3-sulfanyl-2-(thiophene-3-carbonylamino)propanoic acid
CID 16777992
4-phenyl-2-(thiophene-3-carbonylamino)butanoic acid
CID 114916656
4-methyl-2-(thiophene-3-carbonylamino)pentanoic acid
CID 16775253
4-hydroxy-2-[(4-hydroxybenzoyl)amino]butanoic acid
CID 61243635
4-hydroxy-2-(thiophen-3-ylcarbamoylamino)butanoic acid
CID 66356513
4-hydroxy-2-[(4-methylbenzoyl)amino]butanoic acid
CID 61243079
(2R)-2-[(4-bromobenzoyl)amino]-4-hydroxybutanoic acid
CID 107823375
4-hydroxy-2-[(4-propan-2-ylbenzoyl)amino]butanoic acid
CID 61243460
(2S)-4-hydroxy-2-[[4-(trifluoromethyl)benzoyl]amino]butanoic acid
CID 107821860
4-hydroxy-2-(1-thiophen-3-ylpropan-2-ylcarbamoylamino)butanoic acid
CID 61475780
(2R)-4-hydroxy-2-[[methyl(thiophen-3-ylmethyl)carbamoyl]amino]butanoic acid
CID 107826201

Frequently Asked Questions

What is the IUPAC name of 4-hydroxy-2-(thiophene-3-carbonylamino)butanoic acid?
The IUPAC name of 4-hydroxy-2-(thiophene-3-carbonylamino)butanoic acid (CID 61244362) is 4-hydroxy-2-(thiophene-3-carbonylamino)butanoic acid.
What is the SMILES notation for 4-hydroxy-2-(thiophene-3-carbonylamino)butanoic acid?
The canonical SMILES for 4-hydroxy-2-(thiophene-3-carbonylamino)butanoic acid is O=C(NC(CCO)C(=O)O)c1ccsc1.
What is the InChIKey of 4-hydroxy-2-(thiophene-3-carbonylamino)butanoic acid?
The InChIKey is CQBGNRSKHCBQGQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H11NO4S/c11-3-1-7(9(13)14)10-8(12)6-2-4-15-5-6/h2,4-5,7,11H,1,3H2,(H,10,12)(H,13,14).
What are the key properties of 4-hydroxy-2-(thiophene-3-carbonylamino)butanoic acid?
4-hydroxy-2-(thiophene-3-carbonylamino)butanoic acid has a molecular weight of 229.26 g/mol, XLogP of 0.31, 5 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-hydroxy-2-(thiophene-3-carbonylamino)butanoic acid is sourced from PubChem (CID 61244362), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).