2-[(4-propan-2-ylcyclohexylidene)amino]oxyacetic acid

C11H19NO3 — CID 63929088

IUPAC2-[(4-propan-2-ylcyclohexylidene)amino]oxyacetic acid
SMILESCC(C)C1CCC(=NOCC(=O)O)CC1
InChIInChI=1S/C11H19NO3/c1-8(2)9-3-5-10(6-4-9)12-15-7-11(13)14/h8-9H,3-7H2,1-2H3,(H,13,14)/b12-10-
InChIKeyJZQWIXSKEMGOJP-BENRWUELSA-N
MW213.28 g/mol
LogP2.29
Rot. Bonds4

About 2-[(4-propan-2-ylcyclohexylidene)amino]oxyacetic acid

2-[(4-propan-2-ylcyclohexylidene)amino]oxyacetic acid (PubChem CID 63929088) has the molecular formula C11H19NO3 and a molecular weight of 213.28 g/mol. Its IUPAC name is 2-[(4-propan-2-ylcyclohexylidene)amino]oxyacetic acid.

Molecular Properties

Compound Name2-[(4-propan-2-ylcyclohexylidene)amino]oxyacetic acid
PubChem CID63929088
Molecular FormulaC11H19NO3
Molecular Weight213.28 g/mol
Exact Mass213.14
IUPAC Name2-[(4-propan-2-ylcyclohexylidene)amino]oxyacetic acid
SMILESCC(C)C1CCC(=NOCC(=O)O)CC1
InChIInChI=1S/C11H19NO3/c1-8(2)9-3-5-10(6-4-9)12-15-7-11(13)14/h8-9H,3-7H2,1-2H3,(H,13,14)/b12-10-
InChIKeyJZQWIXSKEMGOJP-BENRWUELSA-N
XLogP2.29
TPSA58.89 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500213.28
LogP ≤ 52.29
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-propan-2-ylcyclohexylidene)amino]oxyacetic acid?
The IUPAC name of 2-[(4-propan-2-ylcyclohexylidene)amino]oxyacetic acid (CID 63929088) is 2-[(4-propan-2-ylcyclohexylidene)amino]oxyacetic acid.
What is the SMILES notation for 2-[(4-propan-2-ylcyclohexylidene)amino]oxyacetic acid?
The canonical SMILES for 2-[(4-propan-2-ylcyclohexylidene)amino]oxyacetic acid is CC(C)C1CCC(=NOCC(=O)O)CC1.
What is the InChIKey of 2-[(4-propan-2-ylcyclohexylidene)amino]oxyacetic acid?
The InChIKey is JZQWIXSKEMGOJP-BENRWUELSA-N. The full InChI is InChI=1S/C11H19NO3/c1-8(2)9-3-5-10(6-4-9)12-15-7-11(13)14/h8-9H,3-7H2,1-2H3,(H,13,14)/b12-10-.
What are the key properties of 2-[(4-propan-2-ylcyclohexylidene)amino]oxyacetic acid?
2-[(4-propan-2-ylcyclohexylidene)amino]oxyacetic acid has a molecular weight of 213.28 g/mol, XLogP of 2.29, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(4-propan-2-ylcyclohexylidene)amino]oxyacetic acid is sourced from PubChem (CID 63929088), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).