4-(4-hydroxybutylamino)-2,2-dimethyl-4-oxobutanoic acid

C10H19NO4 — CID 106840413

IUPAC4-(4-hydroxybutylamino)-2,2-dimethyl-4-oxobutanoic acid
SMILESCC(C)(CC(=O)NCCCCO)C(=O)O
InChIInChI=1S/C10H19NO4/c1-10(2,9(14)15)7-8(13)11-5-3-4-6-12/h12H,3-7H2,1-2H3,(H,11,13)(H,14,15)
InChIKeySDRJGGFUPRMUMO-UHFFFAOYSA-N
MW217.26 g/mol
LogP0.38
Rot. Bonds7

About 4-(4-hydroxybutylamino)-2,2-dimethyl-4-oxobutanoic acid

4-(4-hydroxybutylamino)-2,2-dimethyl-4-oxobutanoic acid (PubChem CID 106840413) has the molecular formula C10H19NO4 and a molecular weight of 217.26 g/mol. Its IUPAC name is 4-(4-hydroxybutylamino)-2,2-dimethyl-4-oxobutanoic acid.

Molecular Properties

Compound Name4-(4-hydroxybutylamino)-2,2-dimethyl-4-oxobutanoic acid
PubChem CID106840413
Molecular FormulaC10H19NO4
Molecular Weight217.26 g/mol
Exact Mass217.13
IUPAC Name4-(4-hydroxybutylamino)-2,2-dimethyl-4-oxobutanoic acid
SMILESCC(C)(CC(=O)NCCCCO)C(=O)O
InChIInChI=1S/C10H19NO4/c1-10(2,9(14)15)7-8(13)11-5-3-4-6-12/h12H,3-7H2,1-2H3,(H,11,13)(H,14,15)
InChIKeySDRJGGFUPRMUMO-UHFFFAOYSA-N
XLogP0.38
TPSA86.63 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500217.26
LogP ≤ 50.38
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

Analyze 4-(4-hydroxybutylamino)-2,2-dimethyl-4-oxobutanoic acid 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

4-(3-methoxypropylamino)-2,2-dimethyl-4-oxobutanoic acid
CID 65298010
3-amino-N-(5-hydroxypentyl)-3-methylbutanamide
CID 107317591
3-amino-N-(6-hydroxyhexyl)-3-methylbutanamide
CID 107842436
4-(2-aminoethylamino)-2,2-dimethyl-4-oxobutanoic acid
CID 65302363
4-(3-ethoxypropylamino)-2,2-dimethyl-4-oxobutanoic acid
CID 65297863
4-[(4-hydroxy-2,2-dimethylbutyl)amino]-2,2-dimethyl-4-oxobutanoic acid
CID 106142171
4-(4-imidazol-1-ylbutylamino)-2,2-dimethyl-4-oxobutanoic acid
CID 65299659
N-(4-hydroxybutyl)-2-[(2-methylpropan-2-yl)oxy]acetamide
CID 106843199
4-[3-(dimethylamino)propylcarbamoylamino]-2,2-dimethyl-4-oxobutanoic acid
CID 65300125
2,2-dimethyl-4-oxo-4-(2-propan-2-yloxyethylamino)butanoic acid
CID 104759067
4-[(2-methoxy-2-oxoethyl)amino]-2,2-dimethyl-4-oxobutanoic acid
CID 65302151
2,2-dimethyl-4-[[3-(2-methylpropylamino)-3-oxopropyl]amino]-4-oxobutanoic acid
CID 113409591

Frequently Asked Questions

What is the IUPAC name of 4-(4-hydroxybutylamino)-2,2-dimethyl-4-oxobutanoic acid?
The IUPAC name of 4-(4-hydroxybutylamino)-2,2-dimethyl-4-oxobutanoic acid (CID 106840413) is 4-(4-hydroxybutylamino)-2,2-dimethyl-4-oxobutanoic acid.
What is the SMILES notation for 4-(4-hydroxybutylamino)-2,2-dimethyl-4-oxobutanoic acid?
The canonical SMILES for 4-(4-hydroxybutylamino)-2,2-dimethyl-4-oxobutanoic acid is CC(C)(CC(=O)NCCCCO)C(=O)O.
What is the InChIKey of 4-(4-hydroxybutylamino)-2,2-dimethyl-4-oxobutanoic acid?
The InChIKey is SDRJGGFUPRMUMO-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H19NO4/c1-10(2,9(14)15)7-8(13)11-5-3-4-6-12/h12H,3-7H2,1-2H3,(H,11,13)(H,14,15).
What are the key properties of 4-(4-hydroxybutylamino)-2,2-dimethyl-4-oxobutanoic acid?
4-(4-hydroxybutylamino)-2,2-dimethyl-4-oxobutanoic acid has a molecular weight of 217.26 g/mol, XLogP of 0.38, 7 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(4-hydroxybutylamino)-2,2-dimethyl-4-oxobutanoic acid is sourced from PubChem (CID 106840413), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).