2-(1-cyclobutylethylideneamino)oxy-2-methylpropanoic acid

C10H17NO3 — CID 134969467

IUPAC2-(1-cyclobutylethylideneamino)oxy-2-methylpropanoic acid
SMILESCC(=NOC(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)
InChIKeyYGOJBUGJHDSAJV-UHFFFAOYSA-N
MW199.25 g/mol
LogP2.04
Rot. Bonds4

About 2-(1-cyclobutylethylideneamino)oxy-2-methylpropanoic acid

2-(1-cyclobutylethylideneamino)oxy-2-methylpropanoic acid (PubChem CID 134969467) has the molecular formula C10H17NO3 and a molecular weight of 199.25 g/mol. Its IUPAC name is 2-(1-cyclobutylethylideneamino)oxy-2-methylpropanoic acid.

Molecular Properties

Compound Name2-(1-cyclobutylethylideneamino)oxy-2-methylpropanoic acid
PubChem CID134969467
Molecular FormulaC10H17NO3
Molecular Weight199.25 g/mol
Exact Mass199.12
IUPAC Name2-(1-cyclobutylethylideneamino)oxy-2-methylpropanoic acid
SMILESCC(=NOC(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)
InChIKeyYGOJBUGJHDSAJV-UHFFFAOYSA-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-(1-cyclobutylethylideneamino)oxy-2-methylpropanoic acid?
The IUPAC name of 2-(1-cyclobutylethylideneamino)oxy-2-methylpropanoic acid (CID 134969467) is 2-(1-cyclobutylethylideneamino)oxy-2-methylpropanoic acid.
What is the SMILES notation for 2-(1-cyclobutylethylideneamino)oxy-2-methylpropanoic acid?
The canonical SMILES for 2-(1-cyclobutylethylideneamino)oxy-2-methylpropanoic acid is CC(=NOC(C)(C)C(=O)O)C1CCC1.
What is the InChIKey of 2-(1-cyclobutylethylideneamino)oxy-2-methylpropanoic acid?
The InChIKey is YGOJBUGJHDSAJV-UHFFFAOYSA-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).
What are the key properties of 2-(1-cyclobutylethylideneamino)oxy-2-methylpropanoic acid?
2-(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-(1-cyclobutylethylideneamino)oxy-2-methylpropanoic acid is sourced from PubChem (CID 134969467), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).