2-[(E)-(2-tert-butylcyclohexylidene)amino]oxy-2-methylpropanoic acid

C14H25NO3 — CID 167352378

IUPAC2-[(E)-(2-tert-butylcyclohexylidene)amino]oxy-2-methylpropanoic acid
SMILESCC(C)(O/N=C1\CCCCC1C(C)(C)C)C(=O)O
InChIInChI=1S/C14H25NO3/c1-13(2,3)10-8-6-7-9-11(10)15-18-14(4,5)12(16)17/h10H,6-9H2,1-5H3,(H,16,17)/b15-11+
InChIKeyXRNWDAZPVQYZTK-RVDMUPIBSA-N
MW255.36 g/mol
LogP3.46
Rot. Bonds3

About 2-[(E)-(2-tert-butylcyclohexylidene)amino]oxy-2-methylpropanoic acid

2-[(E)-(2-tert-butylcyclohexylidene)amino]oxy-2-methylpropanoic acid (PubChem CID 167352378) has the molecular formula C14H25NO3 and a molecular weight of 255.36 g/mol. Its IUPAC name is 2-[(E)-(2-tert-butylcyclohexylidene)amino]oxy-2-methylpropanoic acid.

Molecular Properties

Compound Name2-[(E)-(2-tert-butylcyclohexylidene)amino]oxy-2-methylpropanoic acid
PubChem CID167352378
Molecular FormulaC14H25NO3
Molecular Weight255.36 g/mol
Exact Mass255.18
IUPAC Name2-[(E)-(2-tert-butylcyclohexylidene)amino]oxy-2-methylpropanoic acid
SMILESCC(C)(O/N=C1\CCCCC1C(C)(C)C)C(=O)O
InChIInChI=1S/C14H25NO3/c1-13(2,3)10-8-6-7-9-11(10)15-18-14(4,5)12(16)17/h10H,6-9H2,1-5H3,(H,16,17)/b15-11+
InChIKeyXRNWDAZPVQYZTK-RVDMUPIBSA-N
XLogP3.46
TPSA58.89 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500255.36
LogP ≤ 53.46
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-[(E)-(2-tert-butylcyclohexylidene)amino]oxy-2-methylpropanoic acid?
The IUPAC name of 2-[(E)-(2-tert-butylcyclohexylidene)amino]oxy-2-methylpropanoic acid (CID 167352378) is 2-[(E)-(2-tert-butylcyclohexylidene)amino]oxy-2-methylpropanoic acid.
What is the SMILES notation for 2-[(E)-(2-tert-butylcyclohexylidene)amino]oxy-2-methylpropanoic acid?
The canonical SMILES for 2-[(E)-(2-tert-butylcyclohexylidene)amino]oxy-2-methylpropanoic acid is CC(C)(O/N=C1\CCCCC1C(C)(C)C)C(=O)O.
What is the InChIKey of 2-[(E)-(2-tert-butylcyclohexylidene)amino]oxy-2-methylpropanoic acid?
The InChIKey is XRNWDAZPVQYZTK-RVDMUPIBSA-N. The full InChI is InChI=1S/C14H25NO3/c1-13(2,3)10-8-6-7-9-11(10)15-18-14(4,5)12(16)17/h10H,6-9H2,1-5H3,(H,16,17)/b15-11+.
What are the key properties of 2-[(E)-(2-tert-butylcyclohexylidene)amino]oxy-2-methylpropanoic acid?
2-[(E)-(2-tert-butylcyclohexylidene)amino]oxy-2-methylpropanoic acid has a molecular weight of 255.36 g/mol, XLogP of 3.46, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(E)-(2-tert-butylcyclohexylidene)amino]oxy-2-methylpropanoic acid is sourced from PubChem (CID 167352378), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).