(2E)-2-hydroxyimino-3-methylpentanoic acid

C6H11NO3 — CID 14389740

IUPAC(2E)-2-hydroxyimino-3-methylpentanoic acid
SMILESCCC(C)/C(=N\O)C(=O)O
InChIInChI=1S/C6H11NO3/c1-3-4(2)5(7-10)6(8)9/h4,10H,3H2,1-2H3,(H,8,9)/b7-5+
InChIKeyDVMVJFPPLQFMJY-FNORWQNLSA-N
MW145.16 g/mol
LogP0.95
Rot. Bonds3

About (2E)-2-hydroxyimino-3-methylpentanoic acid

(2E)-2-hydroxyimino-3-methylpentanoic acid (PubChem CID 14389740) has the molecular formula C6H11NO3 and a molecular weight of 145.16 g/mol. Its IUPAC name is (2E)-2-hydroxyimino-3-methylpentanoic acid.

Molecular Properties

Compound Name(2E)-2-hydroxyimino-3-methylpentanoic acid
PubChem CID14389740
Molecular FormulaC6H11NO3
Molecular Weight145.16 g/mol
Exact Mass145.07
IUPAC Name(2E)-2-hydroxyimino-3-methylpentanoic acid
SMILESCCC(C)/C(=N\O)C(=O)O
InChIInChI=1S/C6H11NO3/c1-3-4(2)5(7-10)6(8)9/h4,10H,3H2,1-2H3,(H,8,9)/b7-5+
InChIKeyDVMVJFPPLQFMJY-FNORWQNLSA-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 (2E)-2-hydroxyimino-3-methylpentanoic acid?
The IUPAC name of (2E)-2-hydroxyimino-3-methylpentanoic acid (CID 14389740) is (2E)-2-hydroxyimino-3-methylpentanoic acid.
What is the SMILES notation for (2E)-2-hydroxyimino-3-methylpentanoic acid?
The canonical SMILES for (2E)-2-hydroxyimino-3-methylpentanoic acid is CCC(C)/C(=N\O)C(=O)O.
What is the InChIKey of (2E)-2-hydroxyimino-3-methylpentanoic acid?
The InChIKey is DVMVJFPPLQFMJY-FNORWQNLSA-N. The full InChI is InChI=1S/C6H11NO3/c1-3-4(2)5(7-10)6(8)9/h4,10H,3H2,1-2H3,(H,8,9)/b7-5+.
What are the key properties of (2E)-2-hydroxyimino-3-methylpentanoic acid?
(2E)-2-hydroxyimino-3-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 (2E)-2-hydroxyimino-3-methylpentanoic acid is sourced from PubChem (CID 14389740), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).