2-methoxyimino-3-[(2-methylpropan-2-yl)oxy]-3-oxopropanoic acid

C8H13NO5 — CID 54082963

IUPAC2-methoxyimino-3-[(2-methylpropan-2-yl)oxy]-3-oxopropanoic acid
SMILESCON=C(C(=O)O)C(=O)OC(C)(C)C
InChIInChI=1S/C8H13NO5/c1-8(2,3)14-7(12)5(6(10)11)9-13-4/h1-4H3,(H,10,11)
InChIKeyMOKKTYRUYVWEGU-UHFFFAOYSA-N
MW203.19 g/mol
LogP0.42
Rot. Bonds3

About 2-methoxyimino-3-[(2-methylpropan-2-yl)oxy]-3-oxopropanoic acid

2-methoxyimino-3-[(2-methylpropan-2-yl)oxy]-3-oxopropanoic acid (PubChem CID 54082963) has the molecular formula C8H13NO5 and a molecular weight of 203.19 g/mol. Its IUPAC name is 2-methoxyimino-3-[(2-methylpropan-2-yl)oxy]-3-oxopropanoic acid.

Molecular Properties

Compound Name2-methoxyimino-3-[(2-methylpropan-2-yl)oxy]-3-oxopropanoic acid
PubChem CID54082963
Molecular FormulaC8H13NO5
Molecular Weight203.19 g/mol
Exact Mass203.08
IUPAC Name2-methoxyimino-3-[(2-methylpropan-2-yl)oxy]-3-oxopropanoic acid
SMILESCON=C(C(=O)O)C(=O)OC(C)(C)C
InChIInChI=1S/C8H13NO5/c1-8(2,3)14-7(12)5(6(10)11)9-13-4/h1-4H3,(H,10,11)
InChIKeyMOKKTYRUYVWEGU-UHFFFAOYSA-N
XLogP0.42
TPSA85.19 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500203.19
LogP ≤ 50.42
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'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 2-methoxyimino-3-[(2-methylpropan-2-yl)oxy]-3-oxopropanoic acid?
The IUPAC name of 2-methoxyimino-3-[(2-methylpropan-2-yl)oxy]-3-oxopropanoic acid (CID 54082963) is 2-methoxyimino-3-[(2-methylpropan-2-yl)oxy]-3-oxopropanoic acid.
What is the SMILES notation for 2-methoxyimino-3-[(2-methylpropan-2-yl)oxy]-3-oxopropanoic acid?
The canonical SMILES for 2-methoxyimino-3-[(2-methylpropan-2-yl)oxy]-3-oxopropanoic acid is CON=C(C(=O)O)C(=O)OC(C)(C)C.
What is the InChIKey of 2-methoxyimino-3-[(2-methylpropan-2-yl)oxy]-3-oxopropanoic acid?
The InChIKey is MOKKTYRUYVWEGU-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H13NO5/c1-8(2,3)14-7(12)5(6(10)11)9-13-4/h1-4H3,(H,10,11).
What are the key properties of 2-methoxyimino-3-[(2-methylpropan-2-yl)oxy]-3-oxopropanoic acid?
2-methoxyimino-3-[(2-methylpropan-2-yl)oxy]-3-oxopropanoic acid has a molecular weight of 203.19 g/mol, XLogP of 0.42, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methoxyimino-3-[(2-methylpropan-2-yl)oxy]-3-oxopropanoic acid is sourced from PubChem (CID 54082963), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).