2-[1-(methylaminooxy)cyclohexyl]acetic acid

C9H17NO3 — CID 165451099

IUPAC2-[1-(methylaminooxy)cyclohexyl]acetic acid
SMILESCNOC1(CC(=O)O)CCCCC1
InChIInChI=1S/C9H17NO3/c1-10-13-9(7-8(11)12)5-3-2-4-6-9/h10H,2-7H2,1H3,(H,11,12)
InChIKeyPEUUCXAZALMLGK-UHFFFAOYSA-N
MW187.24 g/mol
LogP1.32
Rot. Bonds4

About 2-[1-(methylaminooxy)cyclohexyl]acetic acid

2-[1-(methylaminooxy)cyclohexyl]acetic acid (PubChem CID 165451099) has the molecular formula C9H17NO3 and a molecular weight of 187.24 g/mol. Its IUPAC name is 2-[1-(methylaminooxy)cyclohexyl]acetic acid.

Molecular Properties

Compound Name2-[1-(methylaminooxy)cyclohexyl]acetic acid
PubChem CID165451099
Molecular FormulaC9H17NO3
Molecular Weight187.24 g/mol
Exact Mass187.12
IUPAC Name2-[1-(methylaminooxy)cyclohexyl]acetic acid
SMILESCNOC1(CC(=O)O)CCCCC1
InChIInChI=1S/C9H17NO3/c1-10-13-9(7-8(11)12)5-3-2-4-6-9/h10H,2-7H2,1H3,(H,11,12)
InChIKeyPEUUCXAZALMLGK-UHFFFAOYSA-N
XLogP1.32
TPSA58.56 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500187.24
LogP ≤ 51.32
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-[1-(methylaminooxy)cyclohexyl]acetic acid?
The IUPAC name of 2-[1-(methylaminooxy)cyclohexyl]acetic acid (CID 165451099) is 2-[1-(methylaminooxy)cyclohexyl]acetic acid.
What is the SMILES notation for 2-[1-(methylaminooxy)cyclohexyl]acetic acid?
The canonical SMILES for 2-[1-(methylaminooxy)cyclohexyl]acetic acid is CNOC1(CC(=O)O)CCCCC1.
What is the InChIKey of 2-[1-(methylaminooxy)cyclohexyl]acetic acid?
The InChIKey is PEUUCXAZALMLGK-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H17NO3/c1-10-13-9(7-8(11)12)5-3-2-4-6-9/h10H,2-7H2,1H3,(H,11,12).
What are the key properties of 2-[1-(methylaminooxy)cyclohexyl]acetic acid?
2-[1-(methylaminooxy)cyclohexyl]acetic acid has a molecular weight of 187.24 g/mol, XLogP of 1.32, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[1-(methylaminooxy)cyclohexyl]acetic acid is sourced from PubChem (CID 165451099), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).