(4E)-4-hydroxyiminobutanoic acid

C4H7NO3 — CID 22992497

IUPAC(4E)-4-hydroxyiminobutanoic acid
SMILESO=C(O)CC/C=N/O
InChIInChI=1S/C4H7NO3/c6-4(7)2-1-3-5-8/h3,8H,1-2H2,(H,6,7)/b5-3+
InChIKeyZZJAVKOJVNLBJY-HWKANZROSA-N
MW117.10 g/mol
LogP0.31
Rot. Bonds3

About (4E)-4-hydroxyiminobutanoic acid

(4E)-4-hydroxyiminobutanoic acid (PubChem CID 22992497) has the molecular formula C4H7NO3 and a molecular weight of 117.10 g/mol. Its IUPAC name is (4E)-4-hydroxyiminobutanoic acid.

Molecular Properties

Compound Name(4E)-4-hydroxyiminobutanoic acid
PubChem CID22992497
Molecular FormulaC4H7NO3
Molecular Weight117.10 g/mol
Exact Mass117.04
IUPAC Name(4E)-4-hydroxyiminobutanoic acid
SMILESO=C(O)CC/C=N/O
InChIInChI=1S/C4H7NO3/c6-4(7)2-1-3-5-8/h3,8H,1-2H2,(H,6,7)/b5-3+
InChIKeyZZJAVKOJVNLBJY-HWKANZROSA-N
XLogP0.31
TPSA69.89 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms8
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500117.10
LogP ≤ 50.31
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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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Frequently Asked Questions

What is the IUPAC name of (4E)-4-hydroxyiminobutanoic acid?
The IUPAC name of (4E)-4-hydroxyiminobutanoic acid (CID 22992497) is (4E)-4-hydroxyiminobutanoic acid.
What is the SMILES notation for (4E)-4-hydroxyiminobutanoic acid?
The canonical SMILES for (4E)-4-hydroxyiminobutanoic acid is O=C(O)CC/C=N/O.
What is the InChIKey of (4E)-4-hydroxyiminobutanoic acid?
The InChIKey is ZZJAVKOJVNLBJY-HWKANZROSA-N. The full InChI is InChI=1S/C4H7NO3/c6-4(7)2-1-3-5-8/h3,8H,1-2H2,(H,6,7)/b5-3+.
What are the key properties of (4E)-4-hydroxyiminobutanoic acid?
(4E)-4-hydroxyiminobutanoic acid has a molecular weight of 117.10 g/mol, XLogP of 0.31, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (4E)-4-hydroxyiminobutanoic acid is sourced from PubChem (CID 22992497), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).