4-hydroxyimino-2-methylpentanoic acid

C6H11NO3 — CID 151122937

IUPAC4-hydroxyimino-2-methylpentanoic acid
SMILESCC(CC(C)C(=O)O)=NO
InChIInChI=1S/C6H11NO3/c1-4(6(8)9)3-5(2)7-10/h4,10H,3H2,1-2H3,(H,8,9)
InChIKeyMSOLUFMEORBOFM-UHFFFAOYSA-N
MW145.16 g/mol
LogP0.95
Rot. Bonds3

About 4-hydroxyimino-2-methylpentanoic acid

4-hydroxyimino-2-methylpentanoic acid (PubChem CID 151122937) has the molecular formula C6H11NO3 and a molecular weight of 145.16 g/mol. Its IUPAC name is 4-hydroxyimino-2-methylpentanoic acid.

Molecular Properties

Compound Name4-hydroxyimino-2-methylpentanoic acid
PubChem CID151122937
Molecular FormulaC6H11NO3
Molecular Weight145.16 g/mol
Exact Mass145.07
IUPAC Name4-hydroxyimino-2-methylpentanoic acid
SMILESCC(CC(C)C(=O)O)=NO
InChIInChI=1S/C6H11NO3/c1-4(6(8)9)3-5(2)7-10/h4,10H,3H2,1-2H3,(H,8,9)
InChIKeyMSOLUFMEORBOFM-UHFFFAOYSA-N
XLogP0.95
TPSA69.89 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500145.16
LogP ≤ 50.95
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 4-hydroxyimino-2-methylpentanoic acid?
The IUPAC name of 4-hydroxyimino-2-methylpentanoic acid (CID 151122937) is 4-hydroxyimino-2-methylpentanoic acid.
What is the SMILES notation for 4-hydroxyimino-2-methylpentanoic acid?
The canonical SMILES for 4-hydroxyimino-2-methylpentanoic acid is CC(CC(C)C(=O)O)=NO.
What is the InChIKey of 4-hydroxyimino-2-methylpentanoic acid?
The InChIKey is MSOLUFMEORBOFM-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H11NO3/c1-4(6(8)9)3-5(2)7-10/h4,10H,3H2,1-2H3,(H,8,9).
What are the key properties of 4-hydroxyimino-2-methylpentanoic acid?
4-hydroxyimino-2-methylpentanoic acid has a molecular weight of 145.16 g/mol, XLogP of 0.95, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-hydroxyimino-2-methylpentanoic acid is sourced from PubChem (CID 151122937), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).