2-[(3,5-dimethylcyclohexylidene)amino]oxyacetic acid

C10H17NO3 — CID 64734999

IUPAC2-[(3,5-dimethylcyclohexylidene)amino]oxyacetic acid
SMILESCC1CC(=NOCC(=O)O)CC(C)C1
InChIInChI=1S/C10H17NO3/c1-7-3-8(2)5-9(4-7)11-14-6-10(12)13/h7-8H,3-6H2,1-2H3,(H,12,13)
InChIKeyBNSXFHFTRHJYQK-UHFFFAOYSA-N
MW199.25 g/mol
LogP1.90
Rot. Bonds3

About 2-[(3,5-dimethylcyclohexylidene)amino]oxyacetic acid

2-[(3,5-dimethylcyclohexylidene)amino]oxyacetic acid (PubChem CID 64734999) has the molecular formula C10H17NO3 and a molecular weight of 199.25 g/mol. Its IUPAC name is 2-[(3,5-dimethylcyclohexylidene)amino]oxyacetic acid.

Molecular Properties

Compound Name2-[(3,5-dimethylcyclohexylidene)amino]oxyacetic acid
PubChem CID64734999
Molecular FormulaC10H17NO3
Molecular Weight199.25 g/mol
Exact Mass199.12
IUPAC Name2-[(3,5-dimethylcyclohexylidene)amino]oxyacetic acid
SMILESCC1CC(=NOCC(=O)O)CC(C)C1
InChIInChI=1S/C10H17NO3/c1-7-3-8(2)5-9(4-7)11-14-6-10(12)13/h7-8H,3-6H2,1-2H3,(H,12,13)
InChIKeyBNSXFHFTRHJYQK-UHFFFAOYSA-N
XLogP1.90
TPSA58.89 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500199.25
LogP ≤ 51.90
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-[(3,5-dimethylcyclohexylidene)amino]oxyacetic acid?
The IUPAC name of 2-[(3,5-dimethylcyclohexylidene)amino]oxyacetic acid (CID 64734999) is 2-[(3,5-dimethylcyclohexylidene)amino]oxyacetic acid.
What is the SMILES notation for 2-[(3,5-dimethylcyclohexylidene)amino]oxyacetic acid?
The canonical SMILES for 2-[(3,5-dimethylcyclohexylidene)amino]oxyacetic acid is CC1CC(=NOCC(=O)O)CC(C)C1.
What is the InChIKey of 2-[(3,5-dimethylcyclohexylidene)amino]oxyacetic acid?
The InChIKey is BNSXFHFTRHJYQK-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H17NO3/c1-7-3-8(2)5-9(4-7)11-14-6-10(12)13/h7-8H,3-6H2,1-2H3,(H,12,13).
What are the key properties of 2-[(3,5-dimethylcyclohexylidene)amino]oxyacetic acid?
2-[(3,5-dimethylcyclohexylidene)amino]oxyacetic acid has a molecular weight of 199.25 g/mol, XLogP of 1.90, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(3,5-dimethylcyclohexylidene)amino]oxyacetic acid is sourced from PubChem (CID 64734999), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).