(3Z)-3-methoxyimino-2-methylbutanoic acid

C6H11NO3 — CID 55298412

IUPAC(3Z)-3-methoxyimino-2-methylbutanoic acid
SMILESCO/N=C(/C)C(C)C(=O)O
InChIInChI=1S/C6H11NO3/c1-4(6(8)9)5(2)7-10-3/h4H,1-3H3,(H,8,9)/b7-5-
InChIKeyVAIGNQALKAEYSB-ALCCZGGFSA-N
MW145.16 g/mol
LogP0.73
Rot. Bonds3

About (3Z)-3-methoxyimino-2-methylbutanoic acid

(3Z)-3-methoxyimino-2-methylbutanoic acid (PubChem CID 55298412) has the molecular formula C6H11NO3 and a molecular weight of 145.16 g/mol. Its IUPAC name is (3Z)-3-methoxyimino-2-methylbutanoic acid.

Molecular Properties

Compound Name(3Z)-3-methoxyimino-2-methylbutanoic acid
PubChem CID55298412
Molecular FormulaC6H11NO3
Molecular Weight145.16 g/mol
Exact Mass145.07
IUPAC Name(3Z)-3-methoxyimino-2-methylbutanoic acid
SMILESCO/N=C(/C)C(C)C(=O)O
InChIInChI=1S/C6H11NO3/c1-4(6(8)9)5(2)7-10-3/h4H,1-3H3,(H,8,9)/b7-5-
InChIKeyVAIGNQALKAEYSB-ALCCZGGFSA-N
XLogP0.73
TPSA58.89 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500145.16
LogP ≤ 50.73
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_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 (3Z)-3-methoxyimino-2-methylbutanoic acid?
The IUPAC name of (3Z)-3-methoxyimino-2-methylbutanoic acid (CID 55298412) is (3Z)-3-methoxyimino-2-methylbutanoic acid.
What is the SMILES notation for (3Z)-3-methoxyimino-2-methylbutanoic acid?
The canonical SMILES for (3Z)-3-methoxyimino-2-methylbutanoic acid is CO/N=C(/C)C(C)C(=O)O.
What is the InChIKey of (3Z)-3-methoxyimino-2-methylbutanoic acid?
The InChIKey is VAIGNQALKAEYSB-ALCCZGGFSA-N. The full InChI is InChI=1S/C6H11NO3/c1-4(6(8)9)5(2)7-10-3/h4H,1-3H3,(H,8,9)/b7-5-.
What are the key properties of (3Z)-3-methoxyimino-2-methylbutanoic acid?
(3Z)-3-methoxyimino-2-methylbutanoic acid has a molecular weight of 145.16 g/mol, XLogP of 0.73, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (3Z)-3-methoxyimino-2-methylbutanoic acid is sourced from PubChem (CID 55298412), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).