4-[acetyl(hydroxy)amino]butylazanium

C6H15N2O2+ — CID 170835713

IUPAC4-[acetyl(hydroxy)amino]butylazanium
SMILESCC(=O)N(O)CCCC[NH3+]
InChIInChI=1S/C6H14N2O2/c1-6(9)8(10)5-3-2-4-7/h10H,2-5,7H2,1H3/p+1
InChIKeyCFORGILBPYHKOH-UHFFFAOYSA-O
MW147.20 g/mol
LogP-0.75
Rot. Bonds4

About 4-[acetyl(hydroxy)amino]butylazanium

4-[acetyl(hydroxy)amino]butylazanium (PubChem CID 170835713) has the molecular formula C6H15N2O2+ and a molecular weight of 147.20 g/mol. Its IUPAC name is 4-[acetyl(hydroxy)amino]butylazanium.

Molecular Properties

Compound Name4-[acetyl(hydroxy)amino]butylazanium
PubChem CID170835713
Molecular FormulaC6H15N2O2+
Molecular Weight147.20 g/mol
Exact Mass147.11
IUPAC Name4-[acetyl(hydroxy)amino]butylazanium
SMILESCC(=O)N(O)CCCC[NH3+]
InChIInChI=1S/C6H14N2O2/c1-6(9)8(10)5-3-2-4-7/h10H,2-5,7H2,1H3/p+1
InChIKeyCFORGILBPYHKOH-UHFFFAOYSA-O
XLogP-0.75
TPSA68.18 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500147.20
LogP ≤ 5-0.75
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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

N-(5-aminopentyl)-N-hydroxyacetamide
CID 10374713
N-(3-aminopropyl)-N-hydroxyacetamide
CID 25201398
N-hydroxy-N-acetylcadaverine
CID 91820102
N-butylacetohydroxamic acid
CID 17872276
Acetamide, N-4-aminobutyl-N-hydroxy-
CID 550649
N-hydroxy-N-(5-aminopentyl)acetamide hydrochloride
CID 119030498
3-[Acetyl(hydroxy)amino]propylazanium
CID 25201397
N-acetyl-N'-hydroxy-ethylethylenediamine
CID 117783500
N-butyl-2-(hydroxyimino)acetamide
CID 138376763
N-hydroxy-N-[5-(hydroxyamino)pentyl]acetamide
CID 10035123
3-acetamido-N,N-dimethylpropan-1-amine oxide
CID 18724202
2-amino-N-hydroxy-N-propylacetamide
CID 22621759

Frequently Asked Questions

What is the IUPAC name of 4-[acetyl(hydroxy)amino]butylazanium?
The IUPAC name of 4-[acetyl(hydroxy)amino]butylazanium (CID 170835713) is 4-[acetyl(hydroxy)amino]butylazanium.
What is the SMILES notation for 4-[acetyl(hydroxy)amino]butylazanium?
The canonical SMILES for 4-[acetyl(hydroxy)amino]butylazanium is CC(=O)N(O)CCCC[NH3+].
What is the InChIKey of 4-[acetyl(hydroxy)amino]butylazanium?
The InChIKey is CFORGILBPYHKOH-UHFFFAOYSA-O. The full InChI is InChI=1S/C6H14N2O2/c1-6(9)8(10)5-3-2-4-7/h10H,2-5,7H2,1H3/p+1.
What are the key properties of 4-[acetyl(hydroxy)amino]butylazanium?
4-[acetyl(hydroxy)amino]butylazanium has a molecular weight of 147.20 g/mol, XLogP of -0.75, 4 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[acetyl(hydroxy)amino]butylazanium is sourced from PubChem (CID 170835713), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).