4-[5-(dimethylamino)pentyl-hydroxyamino]-4-oxobutanoic acid

C11H22N2O4 — CID 53380013

IUPAC4-[5-(dimethylamino)pentyl-hydroxyamino]-4-oxobutanoic acid
SMILESCN(C)CCCCCN(O)C(=O)CCC(=O)O
InChIInChI=1S/C11H22N2O4/c1-12(2)8-4-3-5-9-13(17)10(14)6-7-11(15)16/h17H,3-9H2,1-2H3,(H,15,16)
InChIKeyDJJZSKMGDHOYPL-UHFFFAOYSA-N
MW246.31 g/mol
LogP0.80
Rot. Bonds9

About 4-[5-(dimethylamino)pentyl-hydroxyamino]-4-oxobutanoic acid

4-[5-(dimethylamino)pentyl-hydroxyamino]-4-oxobutanoic acid (PubChem CID 53380013) has the molecular formula C11H22N2O4 and a molecular weight of 246.31 g/mol. Its IUPAC name is 4-[5-(dimethylamino)pentyl-hydroxyamino]-4-oxobutanoic acid.

Molecular Properties

Compound Name4-[5-(dimethylamino)pentyl-hydroxyamino]-4-oxobutanoic acid
PubChem CID53380013
Molecular FormulaC11H22N2O4
Molecular Weight246.31 g/mol
Exact Mass246.16
IUPAC Name4-[5-(dimethylamino)pentyl-hydroxyamino]-4-oxobutanoic acid
SMILESCN(C)CCCCCN(O)C(=O)CCC(=O)O
InChIInChI=1S/C11H22N2O4/c1-12(2)8-4-3-5-9-13(17)10(14)6-7-11(15)16/h17H,3-9H2,1-2H3,(H,15,16)
InChIKeyDJJZSKMGDHOYPL-UHFFFAOYSA-N
XLogP0.80
TPSA81.08 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds9
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500246.31
LogP ≤ 50.80
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'}

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Related Compounds

4-[8-(dimethylamino)octyl-hydroxyamino]-4-oxobutanoic acid
CID 46899763
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-[5-(dimethylamino)pentyl-hydroxyamino]-4-oxobutanoic acid?
The IUPAC name of 4-[5-(dimethylamino)pentyl-hydroxyamino]-4-oxobutanoic acid (CID 53380013) is 4-[5-(dimethylamino)pentyl-hydroxyamino]-4-oxobutanoic acid.
What is the SMILES notation for 4-[5-(dimethylamino)pentyl-hydroxyamino]-4-oxobutanoic acid?
The canonical SMILES for 4-[5-(dimethylamino)pentyl-hydroxyamino]-4-oxobutanoic acid is CN(C)CCCCCN(O)C(=O)CCC(=O)O.
What is the InChIKey of 4-[5-(dimethylamino)pentyl-hydroxyamino]-4-oxobutanoic acid?
The InChIKey is DJJZSKMGDHOYPL-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H22N2O4/c1-12(2)8-4-3-5-9-13(17)10(14)6-7-11(15)16/h17H,3-9H2,1-2H3,(H,15,16).
What are the key properties of 4-[5-(dimethylamino)pentyl-hydroxyamino]-4-oxobutanoic acid?
4-[5-(dimethylamino)pentyl-hydroxyamino]-4-oxobutanoic acid has a molecular weight of 246.31 g/mol, XLogP of 0.80, 9 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[5-(dimethylamino)pentyl-hydroxyamino]-4-oxobutanoic acid is sourced from PubChem (CID 53380013), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).