2-[(4-tert-butylcyclohexylidene)amino]oxyacetic acid

C12H21NO3 — CID 63930333

IUPAC2-[(4-tert-butylcyclohexylidene)amino]oxyacetic acid
SMILESCC(C)(C)C1CCC(=NOCC(=O)O)CC1
InChIInChI=1S/C12H21NO3/c1-12(2,3)9-4-6-10(7-5-9)13-16-8-11(14)15/h9H,4-8H2,1-3H3,(H,14,15)/b13-10-
InChIKeyZRZZJBDOUPKOTF-RAXLEYEMSA-N
MW227.30 g/mol
LogP2.68
Rot. Bonds3

About 2-[(4-tert-butylcyclohexylidene)amino]oxyacetic acid

2-[(4-tert-butylcyclohexylidene)amino]oxyacetic acid (PubChem CID 63930333) has the molecular formula C12H21NO3 and a molecular weight of 227.30 g/mol. Its IUPAC name is 2-[(4-tert-butylcyclohexylidene)amino]oxyacetic acid.

Molecular Properties

Compound Name2-[(4-tert-butylcyclohexylidene)amino]oxyacetic acid
PubChem CID63930333
Molecular FormulaC12H21NO3
Molecular Weight227.30 g/mol
Exact Mass227.15
IUPAC Name2-[(4-tert-butylcyclohexylidene)amino]oxyacetic acid
SMILESCC(C)(C)C1CCC(=NOCC(=O)O)CC1
InChIInChI=1S/C12H21NO3/c1-12(2,3)9-4-6-10(7-5-9)13-16-8-11(14)15/h9H,4-8H2,1-3H3,(H,14,15)/b13-10-
InChIKeyZRZZJBDOUPKOTF-RAXLEYEMSA-N
XLogP2.68
TPSA58.89 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500227.30
LogP ≤ 52.68
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-[(4-tert-butylcyclohexylidene)amino]oxyacetic acid?
The IUPAC name of 2-[(4-tert-butylcyclohexylidene)amino]oxyacetic acid (CID 63930333) is 2-[(4-tert-butylcyclohexylidene)amino]oxyacetic acid.
What is the SMILES notation for 2-[(4-tert-butylcyclohexylidene)amino]oxyacetic acid?
The canonical SMILES for 2-[(4-tert-butylcyclohexylidene)amino]oxyacetic acid is CC(C)(C)C1CCC(=NOCC(=O)O)CC1.
What is the InChIKey of 2-[(4-tert-butylcyclohexylidene)amino]oxyacetic acid?
The InChIKey is ZRZZJBDOUPKOTF-RAXLEYEMSA-N. The full InChI is InChI=1S/C12H21NO3/c1-12(2,3)9-4-6-10(7-5-9)13-16-8-11(14)15/h9H,4-8H2,1-3H3,(H,14,15)/b13-10-.
What are the key properties of 2-[(4-tert-butylcyclohexylidene)amino]oxyacetic acid?
2-[(4-tert-butylcyclohexylidene)amino]oxyacetic acid has a molecular weight of 227.30 g/mol, XLogP of 2.68, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(4-tert-butylcyclohexylidene)amino]oxyacetic acid is sourced from PubChem (CID 63930333), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).