2-[(8-methyl-8-azabicyclo[3.2.1]octan-3-ylidene)amino]oxyacetic acid

C10H16N2O3 — CID 63930529

IUPAC2-[(8-methyl-8-azabicyclo[3.2.1]octan-3-ylidene)amino]oxyacetic acid
SMILESCN1C2CCC1CC(=NOCC(=O)O)C2
InChIInChI=1S/C10H16N2O3/c1-12-8-2-3-9(12)5-7(4-8)11-15-6-10(13)14/h8-9H,2-6H2,1H3,(H,13,14)
InChIKeyHTGJVZBCJBDYKT-UHFFFAOYSA-N
MW212.25 g/mol
LogP0.70
Rot. Bonds3

About 2-[(8-methyl-8-azabicyclo[3.2.1]octan-3-ylidene)amino]oxyacetic acid

2-[(8-methyl-8-azabicyclo[3.2.1]octan-3-ylidene)amino]oxyacetic acid (PubChem CID 63930529) has the molecular formula C10H16N2O3 and a molecular weight of 212.25 g/mol. Its IUPAC name is 2-[(8-methyl-8-azabicyclo[3.2.1]octan-3-ylidene)amino]oxyacetic acid.

Molecular Properties

Compound Name2-[(8-methyl-8-azabicyclo[3.2.1]octan-3-ylidene)amino]oxyacetic acid
PubChem CID63930529
Molecular FormulaC10H16N2O3
Molecular Weight212.25 g/mol
Exact Mass212.12
IUPAC Name2-[(8-methyl-8-azabicyclo[3.2.1]octan-3-ylidene)amino]oxyacetic acid
SMILESCN1C2CCC1CC(=NOCC(=O)O)C2
InChIInChI=1S/C10H16N2O3/c1-12-8-2-3-9(12)5-7(4-8)11-15-6-10(13)14/h8-9H,2-6H2,1H3,(H,13,14)
InChIKeyHTGJVZBCJBDYKT-UHFFFAOYSA-N
XLogP0.70
TPSA62.13 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500212.25
LogP ≤ 50.70
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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Frequently Asked Questions

What is the IUPAC name of 2-[(8-methyl-8-azabicyclo[3.2.1]octan-3-ylidene)amino]oxyacetic acid?
The IUPAC name of 2-[(8-methyl-8-azabicyclo[3.2.1]octan-3-ylidene)amino]oxyacetic acid (CID 63930529) is 2-[(8-methyl-8-azabicyclo[3.2.1]octan-3-ylidene)amino]oxyacetic acid.
What is the SMILES notation for 2-[(8-methyl-8-azabicyclo[3.2.1]octan-3-ylidene)amino]oxyacetic acid?
The canonical SMILES for 2-[(8-methyl-8-azabicyclo[3.2.1]octan-3-ylidene)amino]oxyacetic acid is CN1C2CCC1CC(=NOCC(=O)O)C2.
What is the InChIKey of 2-[(8-methyl-8-azabicyclo[3.2.1]octan-3-ylidene)amino]oxyacetic acid?
The InChIKey is HTGJVZBCJBDYKT-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H16N2O3/c1-12-8-2-3-9(12)5-7(4-8)11-15-6-10(13)14/h8-9H,2-6H2,1H3,(H,13,14).
What are the key properties of 2-[(8-methyl-8-azabicyclo[3.2.1]octan-3-ylidene)amino]oxyacetic acid?
2-[(8-methyl-8-azabicyclo[3.2.1]octan-3-ylidene)amino]oxyacetic acid has a molecular weight of 212.25 g/mol, XLogP of 0.70, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(8-methyl-8-azabicyclo[3.2.1]octan-3-ylidene)amino]oxyacetic acid is sourced from PubChem (CID 63930529), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).