5-(hydroxyamino)-3,3-dimethyl-5-oxopentanoic acid

C7H13NO4 — CID 141213898

IUPAC5-(hydroxyamino)-3,3-dimethyl-5-oxopentanoic acid
SMILESCC(C)(CC(=O)O)CC(=O)NO
InChIInChI=1S/C7H13NO4/c1-7(2,4-6(10)11)3-5(9)8-12/h12H,3-4H2,1-2H3,(H,8,9)(H,10,11)
InChIKeyRPAOTJGVYIQILU-UHFFFAOYSA-N
MW175.18 g/mol
LogP0.38
Rot. Bonds4

About 5-(hydroxyamino)-3,3-dimethyl-5-oxopentanoic acid

5-(hydroxyamino)-3,3-dimethyl-5-oxopentanoic acid (PubChem CID 141213898) has the molecular formula C7H13NO4 and a molecular weight of 175.18 g/mol. Its IUPAC name is 5-(hydroxyamino)-3,3-dimethyl-5-oxopentanoic acid.

Molecular Properties

Compound Name5-(hydroxyamino)-3,3-dimethyl-5-oxopentanoic acid
PubChem CID141213898
Molecular FormulaC7H13NO4
Molecular Weight175.18 g/mol
Exact Mass175.08
IUPAC Name5-(hydroxyamino)-3,3-dimethyl-5-oxopentanoic acid
SMILESCC(C)(CC(=O)O)CC(=O)NO
InChIInChI=1S/C7H13NO4/c1-7(2,4-6(10)11)3-5(9)8-12/h12H,3-4H2,1-2H3,(H,8,9)(H,10,11)
InChIKeyRPAOTJGVYIQILU-UHFFFAOYSA-N
XLogP0.38
TPSA86.63 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500175.18
LogP ≤ 50.38
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

Analyze 5-(hydroxyamino)-3,3-dimethyl-5-oxopentanoic acid with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 5-(hydroxyamino)-3,3-dimethyl-5-oxopentanoic acid?
The IUPAC name of 5-(hydroxyamino)-3,3-dimethyl-5-oxopentanoic acid (CID 141213898) is 5-(hydroxyamino)-3,3-dimethyl-5-oxopentanoic acid.
What is the SMILES notation for 5-(hydroxyamino)-3,3-dimethyl-5-oxopentanoic acid?
The canonical SMILES for 5-(hydroxyamino)-3,3-dimethyl-5-oxopentanoic acid is CC(C)(CC(=O)O)CC(=O)NO.
What is the InChIKey of 5-(hydroxyamino)-3,3-dimethyl-5-oxopentanoic acid?
The InChIKey is RPAOTJGVYIQILU-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H13NO4/c1-7(2,4-6(10)11)3-5(9)8-12/h12H,3-4H2,1-2H3,(H,8,9)(H,10,11).
What are the key properties of 5-(hydroxyamino)-3,3-dimethyl-5-oxopentanoic acid?
5-(hydroxyamino)-3,3-dimethyl-5-oxopentanoic acid has a molecular weight of 175.18 g/mol, XLogP of 0.38, 4 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(hydroxyamino)-3,3-dimethyl-5-oxopentanoic acid is sourced from PubChem (CID 141213898), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).