2-[(E)-1-cyclobutylethylideneamino]oxy-2-methylpropanoic acid

C10H17NO3 — CID 167352451

IUPAC2-[(E)-1-cyclobutylethylideneamino]oxy-2-methylpropanoic acid
SMILESC/C(=N\OC(C)(C)C(=O)O)C1CCC1
InChIInChI=1S/C10H17NO3/c1-7(8-5-4-6-8)11-14-10(2,3)9(12)13/h8H,4-6H2,1-3H3,(H,12,13)/b11-7+
InChIKeyYGOJBUGJHDSAJV-YRNVUSSQSA-N
MW199.25 g/mol
LogP2.04
Rot. Bonds4

About 2-[(E)-1-cyclobutylethylideneamino]oxy-2-methylpropanoic acid

2-[(E)-1-cyclobutylethylideneamino]oxy-2-methylpropanoic acid (PubChem CID 167352451) has the molecular formula C10H17NO3 and a molecular weight of 199.25 g/mol. Its IUPAC name is 2-[(E)-1-cyclobutylethylideneamino]oxy-2-methylpropanoic acid.

Molecular Properties

Compound Name2-[(E)-1-cyclobutylethylideneamino]oxy-2-methylpropanoic acid
PubChem CID167352451
Molecular FormulaC10H17NO3
Molecular Weight199.25 g/mol
Exact Mass199.12
IUPAC Name2-[(E)-1-cyclobutylethylideneamino]oxy-2-methylpropanoic acid
SMILESC/C(=N\OC(C)(C)C(=O)O)C1CCC1
InChIInChI=1S/C10H17NO3/c1-7(8-5-4-6-8)11-14-10(2,3)9(12)13/h8H,4-6H2,1-3H3,(H,12,13)/b11-7+
InChIKeyYGOJBUGJHDSAJV-YRNVUSSQSA-N
XLogP2.04
TPSA58.89 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500199.25
LogP ≤ 52.04
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 2-[(E)-1-cyclobutylethylideneamino]oxy-2-methylpropanoic acid?
The IUPAC name of 2-[(E)-1-cyclobutylethylideneamino]oxy-2-methylpropanoic acid (CID 167352451) is 2-[(E)-1-cyclobutylethylideneamino]oxy-2-methylpropanoic acid.
What is the SMILES notation for 2-[(E)-1-cyclobutylethylideneamino]oxy-2-methylpropanoic acid?
The canonical SMILES for 2-[(E)-1-cyclobutylethylideneamino]oxy-2-methylpropanoic acid is C/C(=N\OC(C)(C)C(=O)O)C1CCC1.
What is the InChIKey of 2-[(E)-1-cyclobutylethylideneamino]oxy-2-methylpropanoic acid?
The InChIKey is YGOJBUGJHDSAJV-YRNVUSSQSA-N. The full InChI is InChI=1S/C10H17NO3/c1-7(8-5-4-6-8)11-14-10(2,3)9(12)13/h8H,4-6H2,1-3H3,(H,12,13)/b11-7+.
What are the key properties of 2-[(E)-1-cyclobutylethylideneamino]oxy-2-methylpropanoic acid?
2-[(E)-1-cyclobutylethylideneamino]oxy-2-methylpropanoic acid has a molecular weight of 199.25 g/mol, XLogP of 2.04, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(E)-1-cyclobutylethylideneamino]oxy-2-methylpropanoic acid is sourced from PubChem (CID 167352451), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).