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

C6H9NO4 — CID 23522069

IUPAC(2Z)-2-methoxyimino-3-oxopentanoic acid
SMILESCCC(=O)/C(=N/OC)C(=O)O
InChIInChI=1S/C6H9NO4/c1-3-4(8)5(6(9)10)7-11-2/h3H2,1-2H3,(H,9,10)/b7-5-
InChIKeyGTFDGQBUWDAZKQ-ALCCZGGFSA-N
MW159.14 g/mol
LogP0.05
Rot. Bonds4

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

(2Z)-2-methoxyimino-3-oxopentanoic acid (PubChem CID 23522069) has the molecular formula C6H9NO4 and a molecular weight of 159.14 g/mol. Its IUPAC name is (2Z)-2-methoxyimino-3-oxopentanoic acid.

Molecular Properties

Compound Name(2Z)-2-methoxyimino-3-oxopentanoic acid
PubChem CID23522069
Molecular FormulaC6H9NO4
Molecular Weight159.14 g/mol
Exact Mass159.05
IUPAC Name(2Z)-2-methoxyimino-3-oxopentanoic acid
SMILESCCC(=O)/C(=N/OC)C(=O)O
InChIInChI=1S/C6H9NO4/c1-3-4(8)5(6(9)10)7-11-2/h3H2,1-2H3,(H,9,10)/b7-5-
InChIKeyGTFDGQBUWDAZKQ-ALCCZGGFSA-N
XLogP0.05
TPSA75.96 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500159.14
LogP ≤ 50.05
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_one_A(321)', 'substructure': 'N/A'}, {'alert_name': 'beta-keto/anhydride', 'substructure': 'N/A'}, {'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 (2Z)-2-methoxyimino-3-oxopentanoic acid?
The IUPAC name of (2Z)-2-methoxyimino-3-oxopentanoic acid (CID 23522069) is (2Z)-2-methoxyimino-3-oxopentanoic acid.
What is the SMILES notation for (2Z)-2-methoxyimino-3-oxopentanoic acid?
The canonical SMILES for (2Z)-2-methoxyimino-3-oxopentanoic acid is CCC(=O)/C(=N/OC)C(=O)O.
What is the InChIKey of (2Z)-2-methoxyimino-3-oxopentanoic acid?
The InChIKey is GTFDGQBUWDAZKQ-ALCCZGGFSA-N. The full InChI is InChI=1S/C6H9NO4/c1-3-4(8)5(6(9)10)7-11-2/h3H2,1-2H3,(H,9,10)/b7-5-.
What are the key properties of (2Z)-2-methoxyimino-3-oxopentanoic acid?
(2Z)-2-methoxyimino-3-oxopentanoic acid has a molecular weight of 159.14 g/mol, XLogP of 0.05, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (2Z)-2-methoxyimino-3-oxopentanoic acid is sourced from PubChem (CID 23522069), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).