3-(2-hydroxyanilino)-3-oxopropanoic acid

C9H9NO4 — CID 69016240

IUPAC3-(2-hydroxyanilino)-3-oxopropanoic acid
SMILESO=C(O)CC(=O)Nc1ccccc1O
InChIInChI=1S/C9H9NO4/c11-7-4-2-1-3-6(7)10-8(12)5-9(13)14/h1-4,11H,5H2,(H,10,12)(H,13,14)
InChIKeyTXXGQRAXXNILFB-UHFFFAOYSA-N
MW195.17 g/mol
LogP0.81
Rot. Bonds3

About 3-(2-hydroxyanilino)-3-oxopropanoic acid

3-(2-hydroxyanilino)-3-oxopropanoic acid (PubChem CID 69016240) has the molecular formula C9H9NO4 and a molecular weight of 195.17 g/mol. Its IUPAC name is 3-(2-hydroxyanilino)-3-oxopropanoic acid.

Molecular Properties

Compound Name3-(2-hydroxyanilino)-3-oxopropanoic acid
PubChem CID69016240
Molecular FormulaC9H9NO4
Molecular Weight195.17 g/mol
Exact Mass195.05
IUPAC Name3-(2-hydroxyanilino)-3-oxopropanoic acid
SMILESO=C(O)CC(=O)Nc1ccccc1O
InChIInChI=1S/C9H9NO4/c11-7-4-2-1-3-6(7)10-8(12)5-9(13)14/h1-4,11H,5H2,(H,10,12)(H,13,14)
InChIKeyTXXGQRAXXNILFB-UHFFFAOYSA-N
XLogP0.81
TPSA86.63 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500195.17
LogP ≤ 50.81
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'beta-keto/anhydride', 'substructure': 'N/A'}, {'alert_name': 'catechol', 'substructure': 'N/A'}

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Related Compounds

3-[(5-hydroxynaphthalen-1-yl)amino]-3-oxopropanoic acid
CID 62231947
N-(2-hydroxyphenyl)-2-iodoacetamide
CID 66791865
3-oxo-3-(2-phenylanilino)propanoic acid
CID 62230897
3-(2-benzylanilino)-3-oxopropanoic acid
CID 62230739
N-(2-hydroxyphenyl)-2-phenylsulfanylacetamide
CID 893908
2-[(2-hydroxyphenyl)carbamoylamino]acetic acid
CID 19894710
4-(2-hydroxyanilino)-4-oxobutanoate
CID 3615801
ethane;N-(2-hydroxyphenyl)butanamide
CID 142538893
2-aminophenol;N-(2-hydroxyphenyl)-2-phenylacetamide
CID 158675844
2-benzhydryloxy-N-(2-hydroxyphenyl)acetamide
CID 51284445
3-[(2-hydroxyphenyl)carbamoylamino]propanoic acid
CID 117235776
3-[2-(difluoromethylsulfonyl)anilino]-3-oxopropanoic acid
CID 55049071

Frequently Asked Questions

What is the IUPAC name of 3-(2-hydroxyanilino)-3-oxopropanoic acid?
The IUPAC name of 3-(2-hydroxyanilino)-3-oxopropanoic acid (CID 69016240) is 3-(2-hydroxyanilino)-3-oxopropanoic acid.
What is the SMILES notation for 3-(2-hydroxyanilino)-3-oxopropanoic acid?
The canonical SMILES for 3-(2-hydroxyanilino)-3-oxopropanoic acid is O=C(O)CC(=O)Nc1ccccc1O.
What is the InChIKey of 3-(2-hydroxyanilino)-3-oxopropanoic acid?
The InChIKey is TXXGQRAXXNILFB-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H9NO4/c11-7-4-2-1-3-6(7)10-8(12)5-9(13)14/h1-4,11H,5H2,(H,10,12)(H,13,14).
What are the key properties of 3-(2-hydroxyanilino)-3-oxopropanoic acid?
3-(2-hydroxyanilino)-3-oxopropanoic acid has a molecular weight of 195.17 g/mol, XLogP of 0.81, 3 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(2-hydroxyanilino)-3-oxopropanoic acid is sourced from PubChem (CID 69016240), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).