(4E)-4-hydroxyiminopentanoic acid

C5H9NO3 — CID 5354662

IUPAC(4E)-4-hydroxyiminopentanoic acid
SMILESC/C(CCC(=O)O)=N\O
InChIInChI=1S/C5H9NO3/c1-4(6-9)2-3-5(7)8/h9H,2-3H2,1H3,(H,7,8)/b6-4+
InChIKeyAESJFNDOKWHJAH-GQCTYLIASA-N
MW131.13 g/mol
LogP0.70
Rot. Bonds3

About (4E)-4-hydroxyiminopentanoic acid

(4E)-4-hydroxyiminopentanoic acid (PubChem CID 5354662) has the molecular formula C5H9NO3 and a molecular weight of 131.13 g/mol. Its IUPAC name is (4E)-4-hydroxyiminopentanoic acid.

Molecular Properties

Compound Name(4E)-4-hydroxyiminopentanoic acid
PubChem CID5354662
Molecular FormulaC5H9NO3
Molecular Weight131.13 g/mol
Exact Mass131.06
IUPAC Name(4E)-4-hydroxyiminopentanoic acid
SMILESC/C(CCC(=O)O)=N\O
InChIInChI=1S/C5H9NO3/c1-4(6-9)2-3-5(7)8/h9H,2-3H2,1H3,(H,7,8)/b6-4+
InChIKeyAESJFNDOKWHJAH-GQCTYLIASA-N
XLogP0.70
TPSA69.89 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500131.13
LogP ≤ 50.70
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-hydroxyiminopentanoic acid?
The IUPAC name of (4E)-4-hydroxyiminopentanoic acid (CID 5354662) is (4E)-4-hydroxyiminopentanoic acid.
What is the SMILES notation for (4E)-4-hydroxyiminopentanoic acid?
The canonical SMILES for (4E)-4-hydroxyiminopentanoic acid is C/C(CCC(=O)O)=N\O.
What is the InChIKey of (4E)-4-hydroxyiminopentanoic acid?
The InChIKey is AESJFNDOKWHJAH-GQCTYLIASA-N. The full InChI is InChI=1S/C5H9NO3/c1-4(6-9)2-3-5(7)8/h9H,2-3H2,1H3,(H,7,8)/b6-4+.
What are the key properties of (4E)-4-hydroxyiminopentanoic acid?
(4E)-4-hydroxyiminopentanoic acid has a molecular weight of 131.13 g/mol, XLogP of 0.70, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (4E)-4-hydroxyiminopentanoic acid is sourced from PubChem (CID 5354662), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).