3-[acetyl(hydroxy)amino]propylazanium

C5H13N2O2+ — CID 25201397

IUPAC3-[acetyl(hydroxy)amino]propylazanium
SMILESCC(=O)N(O)CCC[NH3+]
InChIInChI=1S/C5H12N2O2/c1-5(8)7(9)4-2-3-6/h9H,2-4,6H2,1H3/p+1
InChIKeyGESGFMPICZBILN-UHFFFAOYSA-O
MW133.17 g/mol
LogP-1.14
Rot. Bonds3

About 3-[acetyl(hydroxy)amino]propylazanium

3-[acetyl(hydroxy)amino]propylazanium (PubChem CID 25201397) has the molecular formula C5H13N2O2+ and a molecular weight of 133.17 g/mol. Its IUPAC name is 3-[acetyl(hydroxy)amino]propylazanium.

Molecular Properties

Compound Name3-[acetyl(hydroxy)amino]propylazanium
PubChem CID25201397
Molecular FormulaC5H13N2O2+
Molecular Weight133.17 g/mol
Exact Mass133.10
IUPAC Name3-[acetyl(hydroxy)amino]propylazanium
SMILESCC(=O)N(O)CCC[NH3+]
InChIInChI=1S/C5H12N2O2/c1-5(8)7(9)4-2-3-6/h9H,2-4,6H2,1H3/p+1
InChIKeyGESGFMPICZBILN-UHFFFAOYSA-O
XLogP-1.14
TPSA68.18 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500133.17
LogP ≤ 5-1.14
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

N-heptyl-N-hydroxyacetamide
CID 71399613
sodium 3-[acetyl(hydroxy)amino]propane-1-sulfonate
CID 56677107
3-[acetyl(hydroxy)amino]propyl-methoxyphosphinic acid
CID 140747508
1-N,2-N,3-N-tris[3-[acetyl(hydroxy)amino]propyl]propane-1,2,3-tricarboxamide
CID 13417378
5-[[(E)-3-carboxyprop-2-enoyl]-hydroxyamino]pentylazanium
CID 140608959
4-[3-[acetyl(hydroxy)amino]propylamino]-2-[2-[3-[acetyl(hydroxy)amino]propylamino]-2-oxoethyl]-2-hydroxy-4-oxobutanoate
CID 46173220
2-N,6-N-bis[3-[acetyl(hydroxy)amino]propyl]pyridine-2,6-dicarboxamide
CID 13417375
N'-[5-[[4-[5-acetamidopentyl(hydroxy)amino]-4-oxobutanoyl]amino]pentyl]-N-[5-[acetyl(hydroxy)amino]pentyl]-N'-hydroxybutanediamide
CID 10008761
2-[acetyl(hydroxy)amino]acetyl chloride
CID 175203401
N-[5-[acetyl(hydroxy)amino]pentyl]-N'-hydroxy-N'-[5-[[4-[hydroxy-[5-(hydroxyamino)pentyl]amino]-4-oxobutanoyl]amino]pentyl]butanediamide
CID 10257560
N-[5-[acetyl(hydroxy)amino]pentyl]-N'-[5-[[4-[4-aminobutyl(hydroxy)amino]-4-oxobutanoyl]amino]pentyl]-N'-hydroxybutanediamide
CID 154585411
N-[5-[acetyl(hydroxy)amino]pentyl]-N'-hydroxy-N'-[5-[[4-[hydroxy-[5-(2-methylhydrazinyl)pentyl]amino]-4-oxobutanoyl]amino]pentyl]butanediamide
CID 166726509

Frequently Asked Questions

What is the IUPAC name of 3-[acetyl(hydroxy)amino]propylazanium?
The IUPAC name of 3-[acetyl(hydroxy)amino]propylazanium (CID 25201397) is 3-[acetyl(hydroxy)amino]propylazanium.
What is the SMILES notation for 3-[acetyl(hydroxy)amino]propylazanium?
The canonical SMILES for 3-[acetyl(hydroxy)amino]propylazanium is CC(=O)N(O)CCC[NH3+].
What is the InChIKey of 3-[acetyl(hydroxy)amino]propylazanium?
The InChIKey is GESGFMPICZBILN-UHFFFAOYSA-O. The full InChI is InChI=1S/C5H12N2O2/c1-5(8)7(9)4-2-3-6/h9H,2-4,6H2,1H3/p+1.
What are the key properties of 3-[acetyl(hydroxy)amino]propylazanium?
3-[acetyl(hydroxy)amino]propylazanium has a molecular weight of 133.17 g/mol, XLogP of -1.14, 3 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[acetyl(hydroxy)amino]propylazanium is sourced from PubChem (CID 25201397), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).