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

C10H13NO4S — CID 43183385

IUPAC3-hydroxy-2-[(2-thiophen-3-ylacetyl)amino]butanoic acid
SMILESCC(O)C(NC(=O)Cc1ccsc1)C(=O)O
InChIInChI=1S/C10H13NO4S/c1-6(12)9(10(14)15)11-8(13)4-7-2-3-16-5-7/h2-3,5-6,9,12H,4H2,1H3,(H,11,13)(H,14,15)
InChIKeyZEFLAKCXRJKPOT-UHFFFAOYSA-N
MW243.28 g/mol
LogP0.24
Rot. Bonds5

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

3-hydroxy-2-[(2-thiophen-3-ylacetyl)amino]butanoic acid (PubChem CID 43183385) has the molecular formula C10H13NO4S and a molecular weight of 243.28 g/mol. Its IUPAC name is 3-hydroxy-2-[(2-thiophen-3-ylacetyl)amino]butanoic acid.

Molecular Properties

Compound Name3-hydroxy-2-[(2-thiophen-3-ylacetyl)amino]butanoic acid
PubChem CID43183385
Molecular FormulaC10H13NO4S
Molecular Weight243.28 g/mol
Exact Mass243.06
IUPAC Name3-hydroxy-2-[(2-thiophen-3-ylacetyl)amino]butanoic acid
SMILESCC(O)C(NC(=O)Cc1ccsc1)C(=O)O
InChIInChI=1S/C10H13NO4S/c1-6(12)9(10(14)15)11-8(13)4-7-2-3-16-5-7/h2-3,5-6,9,12H,4H2,1H3,(H,11,13)(H,14,15)
InChIKeyZEFLAKCXRJKPOT-UHFFFAOYSA-N
XLogP0.24
TPSA86.63 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds5
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

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Related Compounds

(2R)-2-[(2-thiophen-3-ylacetyl)amino]propanoic acid
CID 28777850
3-methyl-2-(3-thiophen-3-ylpropanoylamino)butanoic acid
CID 119169875
3-hydroxy-2-[[2-(4-methylphenyl)acetyl]amino]butanoic acid
CID 43235600
(2R,3S)-2-methyl-3-phenyl-3-[(2-thiophen-3-ylacetyl)amino]propanoic acid
CID 99851556
2-methyl-3-phenyl-3-[(2-thiophen-3-ylacetyl)amino]propanoic acid
CID 86782511
2-hydroxy-4-[(2-thiophen-3-ylacetyl)amino]butanoic acid
CID 107831984
(2R)-4-methylsulfanyl-2-[(2-thiophen-3-ylacetyl)amino]butanoic acid
CID 28777321
4-methylsulfonyl-2-[(2-thiophen-3-ylacetyl)amino]butanoic acid
CID 43105283
N-[(2R)-1-hydroxybutan-2-yl]-2-thiophen-3-ylacetamide
CID 103920243
N-(3-hydroxy-2-methylbutan-2-yl)-2-thiophen-3-ylacetamide
CID 115884675
(2S,3R)-2-[[2-(3-chlorophenyl)acetyl]amino]-3-hydroxybutanoic acid
CID 94460369
3-hydroxy-2-[(2-pyridin-3-ylacetyl)amino]butanoic acid
CID 55100610

Frequently Asked Questions

What is the IUPAC name of 3-hydroxy-2-[(2-thiophen-3-ylacetyl)amino]butanoic acid?
The IUPAC name of 3-hydroxy-2-[(2-thiophen-3-ylacetyl)amino]butanoic acid (CID 43183385) is 3-hydroxy-2-[(2-thiophen-3-ylacetyl)amino]butanoic acid.
What is the SMILES notation for 3-hydroxy-2-[(2-thiophen-3-ylacetyl)amino]butanoic acid?
The canonical SMILES for 3-hydroxy-2-[(2-thiophen-3-ylacetyl)amino]butanoic acid is CC(O)C(NC(=O)Cc1ccsc1)C(=O)O.
What is the InChIKey of 3-hydroxy-2-[(2-thiophen-3-ylacetyl)amino]butanoic acid?
The InChIKey is ZEFLAKCXRJKPOT-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H13NO4S/c1-6(12)9(10(14)15)11-8(13)4-7-2-3-16-5-7/h2-3,5-6,9,12H,4H2,1H3,(H,11,13)(H,14,15).
What are the key properties of 3-hydroxy-2-[(2-thiophen-3-ylacetyl)amino]butanoic acid?
3-hydroxy-2-[(2-thiophen-3-ylacetyl)amino]butanoic acid has a molecular weight of 243.28 g/mol, XLogP of 0.24, 5 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-hydroxy-2-[(2-thiophen-3-ylacetyl)amino]butanoic acid is sourced from PubChem (CID 43183385), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).