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

C₁₁H₁₉NO₃ — CID 63929088

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 Name: 2-[(4-propan-2-ylcyclohexylidene)amino]oxyacetic acid
• PubChem CID: 63929088
• Molecular Formula: C₁₁H₁₉NO₃
• Molecular Weight: 213.28 g/mol
• Exact Mass: 213.14
• IUPAC Name: 2-[(4-propan-2-ylcyclohexylidene)amino]oxyacetic acid
• SMILES: CC(C)C1CCC(=NOCC(=O)O)CC1
• InChI: 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-
• InChIKey: JZQWIXSKEMGOJP-BENRWUELSA-N
• XLogP: 2.29
• TPSA: 58.89 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 3
• Rotatable Bonds: 4
• Heavy Atoms: 15
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	213.28
LogP ≤ 5	2.29
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	3

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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).

Sources

• PubChem CID 63929088 — identifiers, structure, computed properties (public domain)

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