6-aminohexaneperoxoic acid

C6H13NO3 — CID 22717715

IUPAC6-aminohexaneperoxoic acid
SMILESNCCCCCC(=O)OO
InChIInChI=1S/C6H13NO3/c7-5-3-1-2-4-6(8)10-9/h9H,1-5,7H2
InChIKeyITCICEGAURIGTM-UHFFFAOYSA-N
MW147.17 g/mol
LogP0.52
Rot. Bonds5

About 6-aminohexaneperoxoic acid

6-aminohexaneperoxoic acid (PubChem CID 22717715) has the molecular formula C6H13NO3 and a molecular weight of 147.17 g/mol. Its IUPAC name is 6-aminohexaneperoxoic acid.

Molecular Properties

Compound Name6-aminohexaneperoxoic acid
PubChem CID22717715
Molecular FormulaC6H13NO3
Molecular Weight147.17 g/mol
Exact Mass147.09
IUPAC Name6-aminohexaneperoxoic acid
SMILESNCCCCCC(=O)OO
InChIInChI=1S/C6H13NO3/c7-5-3-1-2-4-6(8)10-9/h9H,1-5,7H2
InChIKeyITCICEGAURIGTM-UHFFFAOYSA-N
XLogP0.52
TPSA72.55 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500147.17
LogP ≤ 50.52
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

12-aminododecaneperoxoic acid
CID 19931514
4-aminobutaneperoxoic acid
CID 10887886
12-aminododecaneperoxoic acid;sulfooxy hydrogen sulfate
CID 23167372
9-aminononanoyl 12-aminododecanoate
CID 88667925
alumane;hexanediperoxoic acid
CID 173462864
amino 8-aminooctanoate
CID 87659694
methyl 10-aminodecanoate
CID 10655700
amino 5-aminopentanoate
CID 22929227
9-hydroperoxy-9-oxononanoic acid
CID 54396666
16-hydroperoxy-16-oxohexadecanoic acid
CID 141025407
10-hydroperoxydecaneperoxoic acid
CID 173162318
methyl 11-aminoundecanoate;hydrochloride
CID 12720706

Frequently Asked Questions

What is the IUPAC name of 6-aminohexaneperoxoic acid?
The IUPAC name of 6-aminohexaneperoxoic acid (CID 22717715) is 6-aminohexaneperoxoic acid.
What is the SMILES notation for 6-aminohexaneperoxoic acid?
The canonical SMILES for 6-aminohexaneperoxoic acid is NCCCCCC(=O)OO.
What is the InChIKey of 6-aminohexaneperoxoic acid?
The InChIKey is ITCICEGAURIGTM-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H13NO3/c7-5-3-1-2-4-6(8)10-9/h9H,1-5,7H2.
What are the key properties of 6-aminohexaneperoxoic acid?
6-aminohexaneperoxoic acid has a molecular weight of 147.17 g/mol, XLogP of 0.52, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 6-aminohexaneperoxoic acid is sourced from PubChem (CID 22717715), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).