12-aminododecaneperoxoic acid

C12H25NO3 — CID 19931514

IUPAC12-aminododecaneperoxoic acid
SMILESNCCCCCCCCCCCC(=O)OO
InChIInChI=1S/C12H25NO3/c13-11-9-7-5-3-1-2-4-6-8-10-12(14)16-15/h15H,1-11,13H2
InChIKeyJWKUWUHNQGMXBM-UHFFFAOYSA-N
MW231.34 g/mol
LogP2.86
Rot. Bonds11

About 12-aminododecaneperoxoic acid

12-aminododecaneperoxoic acid (PubChem CID 19931514) has the molecular formula C12H25NO3 and a molecular weight of 231.34 g/mol. Its IUPAC name is 12-aminododecaneperoxoic acid.

Molecular Properties

Compound Name12-aminododecaneperoxoic acid
PubChem CID19931514
Molecular FormulaC12H25NO3
Molecular Weight231.34 g/mol
Exact Mass231.18
IUPAC Name12-aminododecaneperoxoic acid
SMILESNCCCCCCCCCCCC(=O)OO
InChIInChI=1S/C12H25NO3/c13-11-9-7-5-3-1-2-4-6-8-10-12(14)16-15/h15H,1-11,13H2
InChIKeyJWKUWUHNQGMXBM-UHFFFAOYSA-N
XLogP2.86
TPSA72.55 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds11
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500231.34
LogP ≤ 52.86
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'}

Analyze 12-aminododecaneperoxoic acid with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

6-aminohexaneperoxoic acid
CID 22717715
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
16-hydroperoxy-16-oxohexadecanoic acid
CID 141025407
9-hydroperoxy-9-oxononanoic acid
CID 54396666
10-hydroperoxydecaneperoxoic acid
CID 173162318
methyl 11-aminoundecanoate;hydrochloride
CID 12720706

Frequently Asked Questions

What is the IUPAC name of 12-aminododecaneperoxoic acid?
The IUPAC name of 12-aminododecaneperoxoic acid (CID 19931514) is 12-aminododecaneperoxoic acid.
What is the SMILES notation for 12-aminododecaneperoxoic acid?
The canonical SMILES for 12-aminododecaneperoxoic acid is NCCCCCCCCCCCC(=O)OO.
What is the InChIKey of 12-aminododecaneperoxoic acid?
The InChIKey is JWKUWUHNQGMXBM-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H25NO3/c13-11-9-7-5-3-1-2-4-6-8-10-12(14)16-15/h15H,1-11,13H2.
What are the key properties of 12-aminododecaneperoxoic acid?
12-aminododecaneperoxoic acid has a molecular weight of 231.34 g/mol, XLogP of 2.86, 11 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 12-aminododecaneperoxoic acid is sourced from PubChem (CID 19931514), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).