5-[acetyl(hydroxy)amino]pentylazanium

C7H17N2O2+ — CID 91820102

IUPAC5-[acetyl(hydroxy)amino]pentylazanium
SMILESCC(=O)N(O)CCCCC[NH3+]
InChIInChI=1S/C7H16N2O2/c1-7(10)9(11)6-4-2-3-5-8/h11H,2-6,8H2,1H3/p+1
InChIKeyATUUAJPBSMFUFR-UHFFFAOYSA-O
MW161.22 g/mol
LogP-0.36
Rot. Bonds5

About 5-[acetyl(hydroxy)amino]pentylazanium

5-[acetyl(hydroxy)amino]pentylazanium (PubChem CID 91820102) has the molecular formula C7H17N2O2+ and a molecular weight of 161.22 g/mol. Its IUPAC name is 5-[acetyl(hydroxy)amino]pentylazanium.

Molecular Properties

Compound Name5-[acetyl(hydroxy)amino]pentylazanium
PubChem CID91820102
Molecular FormulaC7H17N2O2+
Molecular Weight161.22 g/mol
Exact Mass161.13
IUPAC Name5-[acetyl(hydroxy)amino]pentylazanium
SMILESCC(=O)N(O)CCCCC[NH3+]
InChIInChI=1S/C7H16N2O2/c1-7(10)9(11)6-4-2-3-5-8/h11H,2-6,8H2,1H3/p+1
InChIKeyATUUAJPBSMFUFR-UHFFFAOYSA-O
XLogP-0.36
TPSA68.18 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500161.22
LogP ≤ 5-0.36
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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Frequently Asked Questions

What is the IUPAC name of 5-[acetyl(hydroxy)amino]pentylazanium?
The IUPAC name of 5-[acetyl(hydroxy)amino]pentylazanium (CID 91820102) is 5-[acetyl(hydroxy)amino]pentylazanium.
What is the SMILES notation for 5-[acetyl(hydroxy)amino]pentylazanium?
The canonical SMILES for 5-[acetyl(hydroxy)amino]pentylazanium is CC(=O)N(O)CCCCC[NH3+].
What is the InChIKey of 5-[acetyl(hydroxy)amino]pentylazanium?
The InChIKey is ATUUAJPBSMFUFR-UHFFFAOYSA-O. The full InChI is InChI=1S/C7H16N2O2/c1-7(10)9(11)6-4-2-3-5-8/h11H,2-6,8H2,1H3/p+1.
What are the key properties of 5-[acetyl(hydroxy)amino]pentylazanium?
5-[acetyl(hydroxy)amino]pentylazanium has a molecular weight of 161.22 g/mol, XLogP of -0.36, 5 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[acetyl(hydroxy)amino]pentylazanium is sourced from PubChem (CID 91820102), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).