5-amino-1-hydroxy-4,4-dimethylpentan-2-one

C7H15NO2 — CID 157309225

IUPAC5-amino-1-hydroxy-4,4-dimethylpentan-2-one
SMILESCC(C)(CN)CC(=O)CO
InChIInChI=1S/C7H15NO2/c1-7(2,5-8)3-6(10)4-9/h9H,3-5,8H2,1-2H3
InChIKeyPSOAGEWCAZXBTN-UHFFFAOYSA-N
MW145.20 g/mol
LogP-0.08
Rot. Bonds4

About 5-amino-1-hydroxy-4,4-dimethylpentan-2-one

5-amino-1-hydroxy-4,4-dimethylpentan-2-one (PubChem CID 157309225) has the molecular formula C7H15NO2 and a molecular weight of 145.20 g/mol. Its IUPAC name is 5-amino-1-hydroxy-4,4-dimethylpentan-2-one.

Molecular Properties

Compound Name5-amino-1-hydroxy-4,4-dimethylpentan-2-one
PubChem CID157309225
Molecular FormulaC7H15NO2
Molecular Weight145.20 g/mol
Exact Mass145.11
IUPAC Name5-amino-1-hydroxy-4,4-dimethylpentan-2-one
SMILESCC(C)(CN)CC(=O)CO
InChIInChI=1S/C7H15NO2/c1-7(2,5-8)3-6(10)4-9/h9H,3-5,8H2,1-2H3
InChIKeyPSOAGEWCAZXBTN-UHFFFAOYSA-N
XLogP-0.08
TPSA63.32 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500145.20
LogP ≤ 5-0.08
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Analyze 5-amino-1-hydroxy-4,4-dimethylpentan-2-one with MolForge

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

Launch Full Analysis

Related Compounds

6-amino-1-hydroxy-5,5-dimethylhexan-3-one
CID 157367139
4-amino-3,3-dimethylbutanoic acid
CID 910834
2,2-dimethylpropane-1,3-diamine
CID 162099967
4-amino-3,3-dimethylbutan-1-ol
CID 55290156
8-amino-3,3,5,5-tetramethyl-7-oxooctanamide
CID 91440643
4-amino-N,3,3-trimethyl-N-(2-methylpropyl)butanamide
CID 115157243
1-amino-4,4-dimethylpentan-2-one
CID 54132585
4-amino-3,3-dimethyl-2-sulfanylbutanoic acid
CID 154153268
4-amino-3,3-dimethyl-N-(1H-pyrrol-2-yl)butanamide
CID 115157201
4-amino-3,3-dimethyl-N-(4-methylsulfanylphenyl)butanamide
CID 115157210
4-amino-3,3-dimethyl-N-(4-propylphenyl)butanamide
CID 115157180
3-(aminomethyl)-4-hydroxy-3-methylbutanoic acid;hydrochloride
CID 75476847

Frequently Asked Questions

What is the IUPAC name of 5-amino-1-hydroxy-4,4-dimethylpentan-2-one?
The IUPAC name of 5-amino-1-hydroxy-4,4-dimethylpentan-2-one (CID 157309225) is 5-amino-1-hydroxy-4,4-dimethylpentan-2-one.
What is the SMILES notation for 5-amino-1-hydroxy-4,4-dimethylpentan-2-one?
The canonical SMILES for 5-amino-1-hydroxy-4,4-dimethylpentan-2-one is CC(C)(CN)CC(=O)CO.
What is the InChIKey of 5-amino-1-hydroxy-4,4-dimethylpentan-2-one?
The InChIKey is PSOAGEWCAZXBTN-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H15NO2/c1-7(2,5-8)3-6(10)4-9/h9H,3-5,8H2,1-2H3.
What are the key properties of 5-amino-1-hydroxy-4,4-dimethylpentan-2-one?
5-amino-1-hydroxy-4,4-dimethylpentan-2-one has a molecular weight of 145.20 g/mol, XLogP of -0.08, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-amino-1-hydroxy-4,4-dimethylpentan-2-one is sourced from PubChem (CID 157309225), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).