4-[8-(dimethylamino)octyl-hydroxyamino]-4-oxobutanoic acid

C14H28N2O4 — CID 46899763

IUPAC4-[8-(dimethylamino)octyl-hydroxyamino]-4-oxobutanoic acid
SMILESCN(C)CCCCCCCCN(O)C(=O)CCC(=O)O
InChIInChI=1S/C14H28N2O4/c1-15(2)11-7-5-3-4-6-8-12-16(20)13(17)9-10-14(18)19/h20H,3-12H2,1-2H3,(H,18,19)
InChIKeyFKNFFLDUNDBHGD-UHFFFAOYSA-N
MW288.39 g/mol
LogP1.97
Rot. Bonds12

About 4-[8-(dimethylamino)octyl-hydroxyamino]-4-oxobutanoic acid

4-[8-(dimethylamino)octyl-hydroxyamino]-4-oxobutanoic acid (PubChem CID 46899763) has the molecular formula C14H28N2O4 and a molecular weight of 288.39 g/mol. Its IUPAC name is 4-[8-(dimethylamino)octyl-hydroxyamino]-4-oxobutanoic acid.

Molecular Properties

Compound Name4-[8-(dimethylamino)octyl-hydroxyamino]-4-oxobutanoic acid
PubChem CID46899763
Molecular FormulaC14H28N2O4
Molecular Weight288.39 g/mol
Exact Mass288.20
IUPAC Name4-[8-(dimethylamino)octyl-hydroxyamino]-4-oxobutanoic acid
SMILESCN(C)CCCCCCCCN(O)C(=O)CCC(=O)O
InChIInChI=1S/C14H28N2O4/c1-15(2)11-7-5-3-4-6-8-12-16(20)13(17)9-10-14(18)19/h20H,3-12H2,1-2H3,(H,18,19)
InChIKeyFKNFFLDUNDBHGD-UHFFFAOYSA-N
XLogP1.97
TPSA81.08 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds12
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500288.39
LogP ≤ 51.97
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

Analyze 4-[8-(dimethylamino)octyl-hydroxyamino]-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-[5-(dimethylamino)pentyl-hydroxyamino]-4-oxobutanoic acid
CID 53380013
4-[hydroxy(tetradecyl)amino]-4-oxobutanoic acid
CID 174789202
N,N-dimethylicosan-1-amine;hexanoic acid
CID 174595283
4-(dimethylamino)butanoic acid;molecular chlorine
CID 174526336
4-[hydroxy-[5-[[4-[hydroxy(5-hydroxypentyl)amino]-4-oxobutanoyl]amino]pentyl]amino]-4-oxobutanoic acid
CID 71613703
4-[3-(dimethylamino)propyl-(2-methoxyethyl)amino]-4-oxobutanoic acid
CID 54876287
4-[5-[[4-[5-[[4-[4-aminobutyl(hydroxy)amino]-4-oxobutanoyl]amino]pentyl-hydroxyamino]-4-oxobutanoyl]amino]pentyl-hydroxyamino]-4-oxobutanoic acid
CID 175663380
N,N-dimethyloctadecan-1-amine;propanoic acid
CID 173352619
N-hexadecyl-N-hydroxyoctadecanamide
CID 150697655
N,N-dimethyldodecan-1-amine;propanoic acid
CID 21226472
3-[methyl((113C)methyl)amino]propanoic acid;hydrochloride
CID 172746252
4-[5-[hydroxy-[4-[5-[hydroxy(10-methylundecanoyl)amino]pentylamino]-4-oxobutanoyl]amino]pentylamino]-4-oxobutanoic acid
CID 163181898

Frequently Asked Questions

What is the IUPAC name of 4-[8-(dimethylamino)octyl-hydroxyamino]-4-oxobutanoic acid?
The IUPAC name of 4-[8-(dimethylamino)octyl-hydroxyamino]-4-oxobutanoic acid (CID 46899763) is 4-[8-(dimethylamino)octyl-hydroxyamino]-4-oxobutanoic acid.
What is the SMILES notation for 4-[8-(dimethylamino)octyl-hydroxyamino]-4-oxobutanoic acid?
The canonical SMILES for 4-[8-(dimethylamino)octyl-hydroxyamino]-4-oxobutanoic acid is CN(C)CCCCCCCCN(O)C(=O)CCC(=O)O.
What is the InChIKey of 4-[8-(dimethylamino)octyl-hydroxyamino]-4-oxobutanoic acid?
The InChIKey is FKNFFLDUNDBHGD-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H28N2O4/c1-15(2)11-7-5-3-4-6-8-12-16(20)13(17)9-10-14(18)19/h20H,3-12H2,1-2H3,(H,18,19).
What are the key properties of 4-[8-(dimethylamino)octyl-hydroxyamino]-4-oxobutanoic acid?
4-[8-(dimethylamino)octyl-hydroxyamino]-4-oxobutanoic acid has a molecular weight of 288.39 g/mol, XLogP of 1.97, 12 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[8-(dimethylamino)octyl-hydroxyamino]-4-oxobutanoic acid is sourced from PubChem (CID 46899763), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).