3,4-dihydroxy-4-[2-(hydroxyiminomethyl)phenyl]butanamide

C11H14N2O4 — CID 171899286

IUPAC3,4-dihydroxy-4-[2-(hydroxyiminomethyl)phenyl]butanamide
SMILESNC(=O)CC(O)C(O)c1ccccc1C=NO
InChIInChI=1S/C11H14N2O4/c12-10(15)5-9(14)11(16)8-4-2-1-3-7(8)6-13-17/h1-4,6,9,11,14,16-17H,5H2,(H2,12,15)
InChIKeyZEJVFRQTDSREGO-UHFFFAOYSA-N
MW238.24 g/mol
LogP-0.24
Rot. Bonds5

About 3,4-dihydroxy-4-[2-(hydroxyiminomethyl)phenyl]butanamide

3,4-dihydroxy-4-[2-(hydroxyiminomethyl)phenyl]butanamide (PubChem CID 171899286) has the molecular formula C11H14N2O4 and a molecular weight of 238.24 g/mol. Its IUPAC name is 3,4-dihydroxy-4-[2-(hydroxyiminomethyl)phenyl]butanamide.

Molecular Properties

Compound Name3,4-dihydroxy-4-[2-(hydroxyiminomethyl)phenyl]butanamide
PubChem CID171899286
Molecular FormulaC11H14N2O4
Molecular Weight238.24 g/mol
Exact Mass238.10
IUPAC Name3,4-dihydroxy-4-[2-(hydroxyiminomethyl)phenyl]butanamide
SMILESNC(=O)CC(O)C(O)c1ccccc1C=NO
InChIInChI=1S/C11H14N2O4/c12-10(15)5-9(14)11(16)8-4-2-1-3-7(8)6-13-17/h1-4,6,9,11,14,16-17H,5H2,(H2,12,15)
InChIKeyZEJVFRQTDSREGO-UHFFFAOYSA-N
XLogP-0.24
TPSA116.14 Ų
H-Bond Donors4
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500238.24
LogP ≤ 5-0.24
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'oxime_1', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

3-amino-1-[2-(hydroxyiminomethyl)phenyl]propane-1,2-diol
CID 170828149
4-bromo-1-[2-(hydroxyiminomethyl)phenyl]butane-1,2-diol
CID 171892121
3,4-dihydroxy-4-naphthalen-1-ylbutanamide
CID 171899361
2,3-dihydroxy-3-[2-(hydroxyiminomethyl)phenyl]propanenitrile
CID 171870342
4-(2-ethenylphenyl)-3,4-dihydroxybutanoic acid
CID 171877228
4-(2,3-dimethylphenyl)-3,4-dihydroxybutanamide
CID 171898729
3,4-dihydroxy-4-(2-methylsulfonylphenyl)butanamide
CID 171899451
4-(1-benzothiophen-3-yl)-3,4-dihydroxybutanamide
CID 171899320
3,4-dihydroxy-4-phenylbutanamide
CID 171898569
2-[2-(hydroxyiminomethyl)phenoxy]acetamide
CID 57365599
4-(2-amino-3-methylphenyl)-3,4-dihydroxybutanamide
CID 171898907
4-(2-formyl-4-methylphenyl)-3,4-dihydroxybutanamide
CID 171899102

Frequently Asked Questions

What is the IUPAC name of 3,4-dihydroxy-4-[2-(hydroxyiminomethyl)phenyl]butanamide?
The IUPAC name of 3,4-dihydroxy-4-[2-(hydroxyiminomethyl)phenyl]butanamide (CID 171899286) is 3,4-dihydroxy-4-[2-(hydroxyiminomethyl)phenyl]butanamide.
What is the SMILES notation for 3,4-dihydroxy-4-[2-(hydroxyiminomethyl)phenyl]butanamide?
The canonical SMILES for 3,4-dihydroxy-4-[2-(hydroxyiminomethyl)phenyl]butanamide is NC(=O)CC(O)C(O)c1ccccc1C=NO.
What is the InChIKey of 3,4-dihydroxy-4-[2-(hydroxyiminomethyl)phenyl]butanamide?
The InChIKey is ZEJVFRQTDSREGO-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H14N2O4/c12-10(15)5-9(14)11(16)8-4-2-1-3-7(8)6-13-17/h1-4,6,9,11,14,16-17H,5H2,(H2,12,15).
What are the key properties of 3,4-dihydroxy-4-[2-(hydroxyiminomethyl)phenyl]butanamide?
3,4-dihydroxy-4-[2-(hydroxyiminomethyl)phenyl]butanamide has a molecular weight of 238.24 g/mol, XLogP of -0.24, 5 rotatable bonds, 4 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3,4-dihydroxy-4-[2-(hydroxyiminomethyl)phenyl]butanamide is sourced from PubChem (CID 171899286), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).