12-azaniumyldodecanoate

C12H25NO2 — CID 6997239

IUPAC12-azaniumyldodecanoate
SMILES[NH3+]CCCCCCCCCCCC(=O)[O-]
InChIInChI=1S/C12H25NO2/c13-11-9-7-5-3-1-2-4-6-8-10-12(14)15/h1-11,13H2,(H,14,15)
InChIKeyPBLZLIFKVPJDCO-UHFFFAOYSA-N
MW215.34 g/mol
LogP0.88
Rot. Bonds11

About 12-azaniumyldodecanoate

12-azaniumyldodecanoate (PubChem CID 6997239) has the molecular formula C12H25NO2 and a molecular weight of 215.34 g/mol. Its IUPAC name is 12-azaniumyldodecanoate.

Molecular Properties

Compound Name12-azaniumyldodecanoate
PubChem CID6997239
Molecular FormulaC12H25NO2
Molecular Weight215.34 g/mol
Exact Mass215.19
IUPAC Name12-azaniumyldodecanoate
SMILES[NH3+]CCCCCCCCCCCC(=O)[O-]
InChIInChI=1S/C12H25NO2/c13-11-9-7-5-3-1-2-4-6-8-10-12(14)15/h1-11,13H2,(H,14,15)
InChIKeyPBLZLIFKVPJDCO-UHFFFAOYSA-N
XLogP0.88
TPSA67.77 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds11
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500215.34
LogP ≤ 50.88
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

12-Aminododecanoic Acid
CID 69661
11-Aminoundecanoic acid
CID 17083
8-Aminooctanoic acid
CID 66085
7-Aminoheptanoic acid
CID 13580
6-Azaniumylhexanoate
CID 517030
2-Azaniumyloctanoate
CID 25200752
Decanedioic acid, compd. with 1,6-hexanediamine (1:1)
CID 165736
8-Azaniumyl-7-oxononanoate
CID 25244029
(S)-8-amino-7-oxononanoate
CID 36688192
8-Azaniumyloctanoate
CID 6994258
10-Aminodecanoic acid
CID 83150
9-Aminononanoic acid
CID 136877

Frequently Asked Questions

What is the IUPAC name of 12-azaniumyldodecanoate?
The IUPAC name of 12-azaniumyldodecanoate (CID 6997239) is 12-azaniumyldodecanoate.
What is the SMILES notation for 12-azaniumyldodecanoate?
The canonical SMILES for 12-azaniumyldodecanoate is [NH3+]CCCCCCCCCCCC(=O)[O-].
What is the InChIKey of 12-azaniumyldodecanoate?
The InChIKey is PBLZLIFKVPJDCO-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H25NO2/c13-11-9-7-5-3-1-2-4-6-8-10-12(14)15/h1-11,13H2,(H,14,15).
What are the key properties of 12-azaniumyldodecanoate?
12-azaniumyldodecanoate has a molecular weight of 215.34 g/mol, XLogP of 0.88, 11 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 12-azaniumyldodecanoate is sourced from PubChem (CID 6997239), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).