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

C14H29ClN2O4 — CID 46899762

IUPAC4-[8-(dimethylamino)octyl-hydroxyamino]-4-oxobutanoic acid;hydrochloride
SMILESCN(C)CCCCCCCCN(O)C(=O)CCC(=O)O.Cl
InChIInChI=1S/C14H28N2O4.ClH/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);1H
InChIKeyNZQQFCWUUPREEJ-UHFFFAOYSA-N
MW324.85 g/mol
LogP2.39
Rot. Bonds12

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

4-[8-(dimethylamino)octyl-hydroxyamino]-4-oxobutanoic acid;hydrochloride (PubChem CID 46899762) has the molecular formula C14H29ClN2O4 and a molecular weight of 324.85 g/mol. Its IUPAC name is 4-[8-(dimethylamino)octyl-hydroxyamino]-4-oxobutanoic acid;hydrochloride.

Molecular Properties

Compound Name4-[8-(dimethylamino)octyl-hydroxyamino]-4-oxobutanoic acid;hydrochloride
PubChem CID46899762
Molecular FormulaC14H29ClN2O4
Molecular Weight324.85 g/mol
Exact Mass324.18
IUPAC Name4-[8-(dimethylamino)octyl-hydroxyamino]-4-oxobutanoic acid;hydrochloride
SMILESCN(C)CCCCCCCCN(O)C(=O)CCC(=O)O.Cl
InChIInChI=1S/C14H28N2O4.ClH/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);1H
InChIKeyNZQQFCWUUPREEJ-UHFFFAOYSA-N
XLogP2.39
TPSA81.08 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds12
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500324.85
LogP ≤ 52.39
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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Frequently Asked Questions

What is the IUPAC name of 4-[8-(dimethylamino)octyl-hydroxyamino]-4-oxobutanoic acid;hydrochloride?
The IUPAC name of 4-[8-(dimethylamino)octyl-hydroxyamino]-4-oxobutanoic acid;hydrochloride (CID 46899762) is 4-[8-(dimethylamino)octyl-hydroxyamino]-4-oxobutanoic acid;hydrochloride.
What is the SMILES notation for 4-[8-(dimethylamino)octyl-hydroxyamino]-4-oxobutanoic acid;hydrochloride?
The canonical SMILES for 4-[8-(dimethylamino)octyl-hydroxyamino]-4-oxobutanoic acid;hydrochloride is CN(C)CCCCCCCCN(O)C(=O)CCC(=O)O.Cl.
What is the InChIKey of 4-[8-(dimethylamino)octyl-hydroxyamino]-4-oxobutanoic acid;hydrochloride?
The InChIKey is NZQQFCWUUPREEJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H28N2O4.ClH/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);1H.
What are the key properties of 4-[8-(dimethylamino)octyl-hydroxyamino]-4-oxobutanoic acid;hydrochloride?
4-[8-(dimethylamino)octyl-hydroxyamino]-4-oxobutanoic acid;hydrochloride has a molecular weight of 324.85 g/mol, XLogP of 2.39, 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;hydrochloride is sourced from PubChem (CID 46899762), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).