2-[(3-methylcyclohexylidene)amino]oxyacetic acid

C9H15NO3 — CID 77013406

IUPAC2-[(3-methylcyclohexylidene)amino]oxyacetic acid
SMILESCC1CCCC(=NOCC(=O)O)C1
InChIInChI=1S/C9H15NO3/c1-7-3-2-4-8(5-7)10-13-6-9(11)12/h7H,2-6H2,1H3,(H,11,12)
InChIKeyYDWAQTBXKMBAHD-UHFFFAOYSA-N
MW185.22 g/mol
LogP1.65
Rot. Bonds3

About 2-[(3-methylcyclohexylidene)amino]oxyacetic acid

2-[(3-methylcyclohexylidene)amino]oxyacetic acid (PubChem CID 77013406) has the molecular formula C9H15NO3 and a molecular weight of 185.22 g/mol. Its IUPAC name is 2-[(3-methylcyclohexylidene)amino]oxyacetic acid.

Molecular Properties

Compound Name2-[(3-methylcyclohexylidene)amino]oxyacetic acid
PubChem CID77013406
Molecular FormulaC9H15NO3
Molecular Weight185.22 g/mol
Exact Mass185.11
IUPAC Name2-[(3-methylcyclohexylidene)amino]oxyacetic acid
SMILESCC1CCCC(=NOCC(=O)O)C1
InChIInChI=1S/C9H15NO3/c1-7-3-2-4-8(5-7)10-13-6-9(11)12/h7H,2-6H2,1H3,(H,11,12)
InChIKeyYDWAQTBXKMBAHD-UHFFFAOYSA-N
XLogP1.65
TPSA58.89 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500185.22
LogP ≤ 51.65
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-methylcyclohexylidene)amino]oxyacetic acid?
The IUPAC name of 2-[(3-methylcyclohexylidene)amino]oxyacetic acid (CID 77013406) is 2-[(3-methylcyclohexylidene)amino]oxyacetic acid.
What is the SMILES notation for 2-[(3-methylcyclohexylidene)amino]oxyacetic acid?
The canonical SMILES for 2-[(3-methylcyclohexylidene)amino]oxyacetic acid is CC1CCCC(=NOCC(=O)O)C1.
What is the InChIKey of 2-[(3-methylcyclohexylidene)amino]oxyacetic acid?
The InChIKey is YDWAQTBXKMBAHD-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H15NO3/c1-7-3-2-4-8(5-7)10-13-6-9(11)12/h7H,2-6H2,1H3,(H,11,12).
What are the key properties of 2-[(3-methylcyclohexylidene)amino]oxyacetic acid?
2-[(3-methylcyclohexylidene)amino]oxyacetic acid has a molecular weight of 185.22 g/mol, XLogP of 1.65, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(3-methylcyclohexylidene)amino]oxyacetic acid is sourced from PubChem (CID 77013406), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).