4-anilino-2,2-dihydroxy-4-oxobutanoic acid

C10H11NO5 — CID 141316230

IUPAC4-anilino-2,2-dihydroxy-4-oxobutanoic acid
SMILESO=C(CC(O)(O)C(=O)O)Nc1ccccc1
InChIInChI=1S/C10H11NO5/c12-8(6-10(15,16)9(13)14)11-7-4-2-1-3-5-7/h1-5,15-16H,6H2,(H,11,12)(H,13,14)
InChIKeyXUPDIYFFBMGPMH-UHFFFAOYSA-N
MW225.20 g/mol
LogP-0.22
Rot. Bonds4

About 4-anilino-2,2-dihydroxy-4-oxobutanoic acid

4-anilino-2,2-dihydroxy-4-oxobutanoic acid (PubChem CID 141316230) has the molecular formula C10H11NO5 and a molecular weight of 225.20 g/mol. Its IUPAC name is 4-anilino-2,2-dihydroxy-4-oxobutanoic acid.

Molecular Properties

Compound Name4-anilino-2,2-dihydroxy-4-oxobutanoic acid
PubChem CID141316230
Molecular FormulaC10H11NO5
Molecular Weight225.20 g/mol
Exact Mass225.06
IUPAC Name4-anilino-2,2-dihydroxy-4-oxobutanoic acid
SMILESO=C(CC(O)(O)C(=O)O)Nc1ccccc1
InChIInChI=1S/C10H11NO5/c12-8(6-10(15,16)9(13)14)11-7-4-2-1-3-5-7/h1-5,15-16H,6H2,(H,11,12)(H,13,14)
InChIKeyXUPDIYFFBMGPMH-UHFFFAOYSA-N
XLogP-0.22
TPSA106.86 Ų
H-Bond Donors4
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500225.20
LogP ≤ 5-0.22
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'het-C-het_not_in_ring', 'substructure': 'N/A'}

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Related Compounds

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(2-anilino-2-oxoethyl)sulfanium
CID 153278909
4-hydroxy-4-methyl-N-phenylpentanamide
CID 564630
3-oxo-N-phenylbutanamide
CID 161275903
N'-hydroxy-N-phenylpropanediamide
CID 20721653
3-fluoro-N-phenylpropanamide
CID 70366284
gold;N-phenyl-2-sulfanylacetamide
CID 138394114
4-chloro-3-oxo-N-phenylbutanamide;hydrochloride
CID 172827163
3,3-dimethyl-4-nitro-N-phenylbutanamide
CID 54404387
3-anilino-N-phenyl-3-sulfanylidenepropanamide
CID 2771545
acetic acid;3-oxo-N-phenylbutanamide
CID 160598921

Frequently Asked Questions

What is the IUPAC name of 4-anilino-2,2-dihydroxy-4-oxobutanoic acid?
The IUPAC name of 4-anilino-2,2-dihydroxy-4-oxobutanoic acid (CID 141316230) is 4-anilino-2,2-dihydroxy-4-oxobutanoic acid.
What is the SMILES notation for 4-anilino-2,2-dihydroxy-4-oxobutanoic acid?
The canonical SMILES for 4-anilino-2,2-dihydroxy-4-oxobutanoic acid is O=C(CC(O)(O)C(=O)O)Nc1ccccc1.
What is the InChIKey of 4-anilino-2,2-dihydroxy-4-oxobutanoic acid?
The InChIKey is XUPDIYFFBMGPMH-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H11NO5/c12-8(6-10(15,16)9(13)14)11-7-4-2-1-3-5-7/h1-5,15-16H,6H2,(H,11,12)(H,13,14).
What are the key properties of 4-anilino-2,2-dihydroxy-4-oxobutanoic acid?
4-anilino-2,2-dihydroxy-4-oxobutanoic acid has a molecular weight of 225.20 g/mol, XLogP of -0.22, 4 rotatable bonds, 4 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-anilino-2,2-dihydroxy-4-oxobutanoic acid is sourced from PubChem (CID 141316230), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).