2-(cyclobutylamino)oxy-2-methylpropanoic acid

C8H15NO3 — CID 175496132

IUPAC2-(cyclobutylamino)oxy-2-methylpropanoic acid
SMILESCC(C)(ONC1CCC1)C(=O)O
InChIInChI=1S/C8H15NO3/c1-8(2,7(10)11)12-9-6-4-3-5-6/h6,9H,3-5H2,1-2H3,(H,10,11)
InChIKeyUJHQQBUQWVGSFU-UHFFFAOYSA-N
MW173.21 g/mol
LogP0.92
Rot. Bonds4

About 2-(cyclobutylamino)oxy-2-methylpropanoic acid

2-(cyclobutylamino)oxy-2-methylpropanoic acid (PubChem CID 175496132) has the molecular formula C8H15NO3 and a molecular weight of 173.21 g/mol. Its IUPAC name is 2-(cyclobutylamino)oxy-2-methylpropanoic acid.

Molecular Properties

Compound Name2-(cyclobutylamino)oxy-2-methylpropanoic acid
PubChem CID175496132
Molecular FormulaC8H15NO3
Molecular Weight173.21 g/mol
Exact Mass173.11
IUPAC Name2-(cyclobutylamino)oxy-2-methylpropanoic acid
SMILESCC(C)(ONC1CCC1)C(=O)O
InChIInChI=1S/C8H15NO3/c1-8(2,7(10)11)12-9-6-4-3-5-6/h6,9H,3-5H2,1-2H3,(H,10,11)
InChIKeyUJHQQBUQWVGSFU-UHFFFAOYSA-N
XLogP0.92
TPSA58.56 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500173.21
LogP ≤ 50.92
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 2-(cyclobutylamino)oxy-2-methylpropanoic acid?
The IUPAC name of 2-(cyclobutylamino)oxy-2-methylpropanoic acid (CID 175496132) is 2-(cyclobutylamino)oxy-2-methylpropanoic acid.
What is the SMILES notation for 2-(cyclobutylamino)oxy-2-methylpropanoic acid?
The canonical SMILES for 2-(cyclobutylamino)oxy-2-methylpropanoic acid is CC(C)(ONC1CCC1)C(=O)O.
What is the InChIKey of 2-(cyclobutylamino)oxy-2-methylpropanoic acid?
The InChIKey is UJHQQBUQWVGSFU-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H15NO3/c1-8(2,7(10)11)12-9-6-4-3-5-6/h6,9H,3-5H2,1-2H3,(H,10,11).
What are the key properties of 2-(cyclobutylamino)oxy-2-methylpropanoic acid?
2-(cyclobutylamino)oxy-2-methylpropanoic acid has a molecular weight of 173.21 g/mol, XLogP of 0.92, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(cyclobutylamino)oxy-2-methylpropanoic acid is sourced from PubChem (CID 175496132), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).