4-methyl-2-(oxan-2-yloxyimino)pentanoic acid

C11H19NO4 — CID 54004954

IUPAC4-methyl-2-(oxan-2-yloxyimino)pentanoic acid
SMILESCC(C)CC(=NOC1CCCCO1)C(=O)O
InChIInChI=1S/C11H19NO4/c1-8(2)7-9(11(13)14)12-16-10-5-3-4-6-15-10/h8,10H,3-7H2,1-2H3,(H,13,14)
InChIKeyKOEZNVXMZVTKLR-UHFFFAOYSA-N
MW229.28 g/mol
LogP2.02
Rot. Bonds5

About 4-methyl-2-(oxan-2-yloxyimino)pentanoic acid

4-methyl-2-(oxan-2-yloxyimino)pentanoic acid (PubChem CID 54004954) has the molecular formula C11H19NO4 and a molecular weight of 229.28 g/mol. Its IUPAC name is 4-methyl-2-(oxan-2-yloxyimino)pentanoic acid.

Molecular Properties

Compound Name4-methyl-2-(oxan-2-yloxyimino)pentanoic acid
PubChem CID54004954
Molecular FormulaC11H19NO4
Molecular Weight229.28 g/mol
Exact Mass229.13
IUPAC Name4-methyl-2-(oxan-2-yloxyimino)pentanoic acid
SMILESCC(C)CC(=NOC1CCCCO1)C(=O)O
InChIInChI=1S/C11H19NO4/c1-8(2)7-9(11(13)14)12-16-10-5-3-4-6-15-10/h8,10H,3-7H2,1-2H3,(H,13,14)
InChIKeyKOEZNVXMZVTKLR-UHFFFAOYSA-N
XLogP2.02
TPSA68.12 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500229.28
LogP ≤ 52.02
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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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Related Compounds

3-(oxan-2-yloxy)butanoic acid
CID 14279636
methyl (2E)-3-ethoxy-2-(oxan-2-yloxyimino)butanoate
CID 11334435
(2Z)-N-methyl-2-(oxan-2-yloxyimino)-3-phenylpropanamide
CID 59421110
2-(oxan-2-yloxy)propanoic acid
CID 542280
methyl (2S)-2-methyl-3-(oxan-2-yloxy)propanoate
CID 11195022
methyl (2R)-2-methyl-3-[(2R)-oxan-2-yl]oxypropanoate
CID 92975409
(2Z)-2-(6-methyl-2-oxo-1H-pyridin-3-yl)-2-(oxan-2-yloxyimino)acetic acid
CID 135604503
2-[2-(oxan-2-yloxy)ethylsulfanyl]propanoic acid
CID 61369660
4-methyl-2-[1-(oxan-2-yloxyamino)ethyl]pentanoic acid
CID 21256832
4-[(2S)-1-(oxan-2-yloxy)propan-2-yl]oxy-4-oxobutanoic acid
CID 134236426
(E)-N-(oxan-2-yloxy)cyclohexanecarboximidoyl chloride
CID 11096875
(3R)-1-chloro-3-(oxan-2-yloxy)butan-2-one
CID 11506704

Frequently Asked Questions

What is the IUPAC name of 4-methyl-2-(oxan-2-yloxyimino)pentanoic acid?
The IUPAC name of 4-methyl-2-(oxan-2-yloxyimino)pentanoic acid (CID 54004954) is 4-methyl-2-(oxan-2-yloxyimino)pentanoic acid.
What is the SMILES notation for 4-methyl-2-(oxan-2-yloxyimino)pentanoic acid?
The canonical SMILES for 4-methyl-2-(oxan-2-yloxyimino)pentanoic acid is CC(C)CC(=NOC1CCCCO1)C(=O)O.
What is the InChIKey of 4-methyl-2-(oxan-2-yloxyimino)pentanoic acid?
The InChIKey is KOEZNVXMZVTKLR-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H19NO4/c1-8(2)7-9(11(13)14)12-16-10-5-3-4-6-15-10/h8,10H,3-7H2,1-2H3,(H,13,14).
What are the key properties of 4-methyl-2-(oxan-2-yloxyimino)pentanoic acid?
4-methyl-2-(oxan-2-yloxyimino)pentanoic acid has a molecular weight of 229.28 g/mol, XLogP of 2.02, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-methyl-2-(oxan-2-yloxyimino)pentanoic acid is sourced from PubChem (CID 54004954), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).