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

C9H11NO4S — CID 16774340

IUPAC3-hydroxy-2-(thiophene-3-carbonylamino)butanoic acid
SMILESCC(O)C(NC(=O)c1ccsc1)C(=O)O
InChIInChI=1S/C9H11NO4S/c1-5(11)7(9(13)14)10-8(12)6-2-3-15-4-6/h2-5,7,11H,1H3,(H,10,12)(H,13,14)
InChIKeyLZUJMALGNXJQQL-UHFFFAOYSA-N
MW229.26 g/mol
LogP0.31
Rot. Bonds4

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

3-hydroxy-2-(thiophene-3-carbonylamino)butanoic acid (PubChem CID 16774340) has the molecular formula C9H11NO4S and a molecular weight of 229.26 g/mol. Its IUPAC name is 3-hydroxy-2-(thiophene-3-carbonylamino)butanoic acid.

Molecular Properties

Compound Name3-hydroxy-2-(thiophene-3-carbonylamino)butanoic acid
PubChem CID16774340
Molecular FormulaC9H11NO4S
Molecular Weight229.26 g/mol
Exact Mass229.04
IUPAC Name3-hydroxy-2-(thiophene-3-carbonylamino)butanoic acid
SMILESCC(O)C(NC(=O)c1ccsc1)C(=O)O
InChIInChI=1S/C9H11NO4S/c1-5(11)7(9(13)14)10-8(12)6-2-3-15-4-6/h2-5,7,11H,1H3,(H,10,12)(H,13,14)
InChIKeyLZUJMALGNXJQQL-UHFFFAOYSA-N
XLogP0.31
TPSA86.63 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds4
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

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Frequently Asked Questions

What is the IUPAC name of 3-hydroxy-2-(thiophene-3-carbonylamino)butanoic acid?
The IUPAC name of 3-hydroxy-2-(thiophene-3-carbonylamino)butanoic acid (CID 16774340) is 3-hydroxy-2-(thiophene-3-carbonylamino)butanoic acid.
What is the SMILES notation for 3-hydroxy-2-(thiophene-3-carbonylamino)butanoic acid?
The canonical SMILES for 3-hydroxy-2-(thiophene-3-carbonylamino)butanoic acid is CC(O)C(NC(=O)c1ccsc1)C(=O)O.
What is the InChIKey of 3-hydroxy-2-(thiophene-3-carbonylamino)butanoic acid?
The InChIKey is LZUJMALGNXJQQL-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H11NO4S/c1-5(11)7(9(13)14)10-8(12)6-2-3-15-4-6/h2-5,7,11H,1H3,(H,10,12)(H,13,14).
What are the key properties of 3-hydroxy-2-(thiophene-3-carbonylamino)butanoic acid?
3-hydroxy-2-(thiophene-3-carbonylamino)butanoic acid has a molecular weight of 229.26 g/mol, XLogP of 0.31, 4 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-hydroxy-2-(thiophene-3-carbonylamino)butanoic acid is sourced from PubChem (CID 16774340), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).