2-anilino-4-oxobutanoic acid

C10H11NO3 — CID 154361840

IUPAC2-anilino-4-oxobutanoic acid
SMILESO=CCC(Nc1ccccc1)C(=O)O
InChIInChI=1S/C10H11NO3/c12-7-6-9(10(13)14)11-8-4-2-1-3-5-8/h1-5,7,9,11H,6H2,(H,13,14)
InChIKeyASLKZFWDUAMXLN-UHFFFAOYSA-N
MW193.20 g/mol
LogP1.14
Rot. Bonds5

About 2-anilino-4-oxobutanoic acid

2-anilino-4-oxobutanoic acid (PubChem CID 154361840) has the molecular formula C10H11NO3 and a molecular weight of 193.20 g/mol. Its IUPAC name is 2-anilino-4-oxobutanoic acid.

Molecular Properties

Compound Name2-anilino-4-oxobutanoic acid
PubChem CID154361840
Molecular FormulaC10H11NO3
Molecular Weight193.20 g/mol
Exact Mass193.07
IUPAC Name2-anilino-4-oxobutanoic acid
SMILESO=CCC(Nc1ccccc1)C(=O)O
InChIInChI=1S/C10H11NO3/c12-7-6-9(10(13)14)11-8-4-2-1-3-5-8/h1-5,7,9,11H,6H2,(H,13,14)
InChIKeyASLKZFWDUAMXLN-UHFFFAOYSA-N
XLogP1.14
TPSA66.40 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500193.20
LogP ≤ 51.14
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aldehyde', 'substructure': 'N/A'}

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Related Compounds

2-benzamido-4-oxobutanoic acid
CID 19361902
(2R)-2-anilino-3-hydroxypropanoic acid
CID 68662369
2-anilino-3-sulfanylpropanoic acid
CID 87519071
(2R)-2-anilino-3-sulfanylpropanoic acid;hydrobromide
CID 71352258
(2S)-2-anilinopentanoic acid
CID 22847649
3-amino-3-anilinopropanal
CID 57291252
(2S)-2-anilino-5-hydroxy-4-oxopentanoic acid
CID 71062761
(2S)-5-amino-2-anilino-5-oxopentanoic acid
CID 54197392
2-anilino-4,4-dinitrobutanoic acid
CID 143450894
2-anilino-3-sulfanylpropanoic acid;sulfuric acid;hydrochloride
CID 175420223
2-anilino-3-phenylmethoxypropanoic acid
CID 154530203
(2R)-2-anilino-4-ethoxy-4-oxobutanoic acid
CID 70072361

Frequently Asked Questions

What is the IUPAC name of 2-anilino-4-oxobutanoic acid?
The IUPAC name of 2-anilino-4-oxobutanoic acid (CID 154361840) is 2-anilino-4-oxobutanoic acid.
What is the SMILES notation for 2-anilino-4-oxobutanoic acid?
The canonical SMILES for 2-anilino-4-oxobutanoic acid is O=CCC(Nc1ccccc1)C(=O)O.
What is the InChIKey of 2-anilino-4-oxobutanoic acid?
The InChIKey is ASLKZFWDUAMXLN-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H11NO3/c12-7-6-9(10(13)14)11-8-4-2-1-3-5-8/h1-5,7,9,11H,6H2,(H,13,14).
What are the key properties of 2-anilino-4-oxobutanoic acid?
2-anilino-4-oxobutanoic acid has a molecular weight of 193.20 g/mol, XLogP of 1.14, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-anilino-4-oxobutanoic acid is sourced from PubChem (CID 154361840), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).