2-hydroxy-4-[(2-thiophen-3-ylacetyl)amino]butanoic acid

C10H13NO4S — CID 107831984

IUPAC2-hydroxy-4-[(2-thiophen-3-ylacetyl)amino]butanoic acid
SMILESO=C(Cc1ccsc1)NCCC(O)C(=O)O
InChIInChI=1S/C10H13NO4S/c12-8(10(14)15)1-3-11-9(13)5-7-2-4-16-6-7/h2,4,6,8,12H,1,3,5H2,(H,11,13)(H,14,15)
InChIKeyGMJUYFQYAQXFGF-UHFFFAOYSA-N
MW243.28 g/mol
LogP0.24
Rot. Bonds6

About 2-hydroxy-4-[(2-thiophen-3-ylacetyl)amino]butanoic acid

2-hydroxy-4-[(2-thiophen-3-ylacetyl)amino]butanoic acid (PubChem CID 107831984) has the molecular formula C10H13NO4S and a molecular weight of 243.28 g/mol. Its IUPAC name is 2-hydroxy-4-[(2-thiophen-3-ylacetyl)amino]butanoic acid.

Molecular Properties

Compound Name2-hydroxy-4-[(2-thiophen-3-ylacetyl)amino]butanoic acid
PubChem CID107831984
Molecular FormulaC10H13NO4S
Molecular Weight243.28 g/mol
Exact Mass243.06
IUPAC Name2-hydroxy-4-[(2-thiophen-3-ylacetyl)amino]butanoic acid
SMILESO=C(Cc1ccsc1)NCCC(O)C(=O)O
InChIInChI=1S/C10H13NO4S/c12-8(10(14)15)1-3-11-9(13)5-7-2-4-16-6-7/h2,4,6,8,12H,1,3,5H2,(H,11,13)(H,14,15)
InChIKeyGMJUYFQYAQXFGF-UHFFFAOYSA-N
XLogP0.24
TPSA86.63 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500243.28
LogP ≤ 50.24
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

Analyze 2-hydroxy-4-[(2-thiophen-3-ylacetyl)amino]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-hydroxy-4-(1-thiophen-3-ylpropan-2-ylcarbamoylamino)butanoic acid
CID 107838978
2-[[(2-thiophen-3-ylacetyl)amino]methyl]butanoic acid
CID 65219165
3-hydroxy-2-[(2-thiophen-3-ylacetyl)amino]butanoic acid
CID 43183385
N-(5-bromo-4-methylpentyl)-2-thiophen-3-ylacetamide
CID 106158024
N-(6-bromohexyl)-2-thiophen-3-ylacetamide
CID 107847604
(2S)-2-hydroxy-4-[[2-(3-methylphenyl)acetyl]amino]butanoic acid
CID 107834540
2-phenyl-3-[(2-thiophen-3-ylacetyl)amino]propanoic acid
CID 62883842
(2R)-2-[(2-thiophen-3-ylacetyl)amino]propanoic acid
CID 28777850
N-[(E)-pent-3-enyl]-2-thiophen-3-ylacetamide
CID 115628042
N-[2-[(2-thiophen-3-ylacetyl)amino]ethyl]cyclopropanecarboxamide
CID 47102251
4-methyl-5-[(2-thiophen-3-ylacetyl)amino]pentanoic acid
CID 82010120
(2S)-2-hydroxy-4-[(2-phenylmethoxyacetyl)amino]butanoic acid
CID 107834653

Frequently Asked Questions

What is the IUPAC name of 2-hydroxy-4-[(2-thiophen-3-ylacetyl)amino]butanoic acid?
The IUPAC name of 2-hydroxy-4-[(2-thiophen-3-ylacetyl)amino]butanoic acid (CID 107831984) is 2-hydroxy-4-[(2-thiophen-3-ylacetyl)amino]butanoic acid.
What is the SMILES notation for 2-hydroxy-4-[(2-thiophen-3-ylacetyl)amino]butanoic acid?
The canonical SMILES for 2-hydroxy-4-[(2-thiophen-3-ylacetyl)amino]butanoic acid is O=C(Cc1ccsc1)NCCC(O)C(=O)O.
What is the InChIKey of 2-hydroxy-4-[(2-thiophen-3-ylacetyl)amino]butanoic acid?
The InChIKey is GMJUYFQYAQXFGF-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H13NO4S/c12-8(10(14)15)1-3-11-9(13)5-7-2-4-16-6-7/h2,4,6,8,12H,1,3,5H2,(H,11,13)(H,14,15).
What are the key properties of 2-hydroxy-4-[(2-thiophen-3-ylacetyl)amino]butanoic acid?
2-hydroxy-4-[(2-thiophen-3-ylacetyl)amino]butanoic acid has a molecular weight of 243.28 g/mol, XLogP of 0.24, 6 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-hydroxy-4-[(2-thiophen-3-ylacetyl)amino]butanoic acid is sourced from PubChem (CID 107831984), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).