5-amino-2-tert-butyl-5-hydroxyimino-3,3-dimethylpentanoic acid

C₁₁H₂₂N₂O₃ — CID 173188453

About 5-amino-2-tert-butyl-5-hydroxyimino-3,3-dimethylpentanoic acid

5-amino-2-tert-butyl-5-hydroxyimino-3,3-dimethylpentanoic acid (PubChem CID 173188453) has the molecular formula C₁₁H₂₂N₂O₃ and a molecular weight of 230.31 g/mol. Its IUPAC name is 5-amino-2-tert-butyl-5-hydroxyimino-3,3-dimethylpentanoic acid.

Molecular Properties

• Compound Name: 5-amino-2-tert-butyl-5-hydroxyimino-3,3-dimethylpentanoic acid
• PubChem CID: 173188453
• Molecular Formula: C₁₁H₂₂N₂O₃
• Molecular Weight: 230.31 g/mol
• Exact Mass: 230.16
• IUPAC Name: 5-amino-2-tert-butyl-5-hydroxyimino-3,3-dimethylpentanoic acid
• SMILES: CC(C)(C)C(C(=O)O)C(C)(C)CC(N)=NO
• InChI: InChI=1S/C11H22N2O3/c1-10(2,3)8(9(14)15)11(4,5)6-7(12)13-16/h8,16H,6H2,1-5H3,(H2,12,13)(H,14,15)
• InChIKey: ZWXBFZHVQDFBTQ-UHFFFAOYSA-N
• XLogP: 1.90
• TPSA: 95.91 Ų
• H-Bond Donors: 3
• H-Bond Acceptors: 3
• Rotatable Bonds: 4
• Heavy Atoms: 16
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	230.31
LogP ≤ 5	1.90
H-Bond Donors ≤ 5	3
H-Bond Acceptors ≤ 10	3

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'imine_2', 'substructure': 'N/A'}, {'alert_name': 'oxime_1', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

Frequently Asked Questions

What is the IUPAC name of 5-amino-2-tert-butyl-5-hydroxyimino-3,3-dimethylpentanoic acid?

The IUPAC name of 5-amino-2-tert-butyl-5-hydroxyimino-3,3-dimethylpentanoic acid (CID 173188453) is 5-amino-2-tert-butyl-5-hydroxyimino-3,3-dimethylpentanoic acid.

What is the SMILES notation for 5-amino-2-tert-butyl-5-hydroxyimino-3,3-dimethylpentanoic acid?

The canonical SMILES for 5-amino-2-tert-butyl-5-hydroxyimino-3,3-dimethylpentanoic acid is CC(C)(C)C(C(=O)O)C(C)(C)CC(N)=NO.

What is the InChIKey of 5-amino-2-tert-butyl-5-hydroxyimino-3,3-dimethylpentanoic acid?

The InChIKey is ZWXBFZHVQDFBTQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H22N2O3/c1-10(2,3)8(9(14)15)11(4,5)6-7(12)13-16/h8,16H,6H2,1-5H3,(H2,12,13)(H,14,15).

What are the key properties of 5-amino-2-tert-butyl-5-hydroxyimino-3,3-dimethylpentanoic acid?

5-amino-2-tert-butyl-5-hydroxyimino-3,3-dimethylpentanoic acid has a molecular weight of 230.31 g/mol, XLogP of 1.90, 4 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.

Where does this data come from?

All data for 5-amino-2-tert-butyl-5-hydroxyimino-3,3-dimethylpentanoic acid is sourced from PubChem (CID 173188453), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).

Sources

• PubChem CID 173188453 — identifiers, structure, computed properties (public domain)

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