2-hydroxyimino-4-methylpentanoic acid

C6H11NO3 — CID 57358680

IUPAC2-hydroxyimino-4-methylpentanoic acid
SMILESCC(C)CC(=NO)C(=O)O
InChIInChI=1S/C6H11NO3/c1-4(2)3-5(7-10)6(8)9/h4,10H,3H2,1-2H3,(H,8,9)
InChIKeyBXFMNNVJFIGVDJ-UHFFFAOYSA-N
MW145.16 g/mol
LogP0.95
Rot. Bonds3

About 2-hydroxyimino-4-methylpentanoic acid

2-hydroxyimino-4-methylpentanoic acid (PubChem CID 57358680) has the molecular formula C6H11NO3 and a molecular weight of 145.16 g/mol. Its IUPAC name is 2-hydroxyimino-4-methylpentanoic acid.

Molecular Properties

Compound Name2-hydroxyimino-4-methylpentanoic acid
PubChem CID57358680
Molecular FormulaC6H11NO3
Molecular Weight145.16 g/mol
Exact Mass145.07
IUPAC Name2-hydroxyimino-4-methylpentanoic acid
SMILESCC(C)CC(=NO)C(=O)O
InChIInChI=1S/C6H11NO3/c1-4(2)3-5(7-10)6(8)9/h4,10H,3H2,1-2H3,(H,8,9)
InChIKeyBXFMNNVJFIGVDJ-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 2-hydroxyimino-4-methylpentanoic acid?
The IUPAC name of 2-hydroxyimino-4-methylpentanoic acid (CID 57358680) is 2-hydroxyimino-4-methylpentanoic acid.
What is the SMILES notation for 2-hydroxyimino-4-methylpentanoic acid?
The canonical SMILES for 2-hydroxyimino-4-methylpentanoic acid is CC(C)CC(=NO)C(=O)O.
What is the InChIKey of 2-hydroxyimino-4-methylpentanoic acid?
The InChIKey is BXFMNNVJFIGVDJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H11NO3/c1-4(2)3-5(7-10)6(8)9/h4,10H,3H2,1-2H3,(H,8,9).
What are the key properties of 2-hydroxyimino-4-methylpentanoic acid?
2-hydroxyimino-4-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 2-hydroxyimino-4-methylpentanoic acid is sourced from PubChem (CID 57358680), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).