9-azaniumylnonanoate

C9H19NO2 — CID 36690094

IUPAC9-azaniumylnonanoate
SMILES[NH3+]CCCCCCCCC(=O)[O-]
InChIInChI=1S/C9H19NO2/c10-8-6-4-2-1-3-5-7-9(11)12/h1-8,10H2,(H,11,12)
InChIKeyVWPQCOZMXULHDM-UHFFFAOYSA-N
MW173.26 g/mol
LogP-0.29
Rot. Bonds8

About 9-azaniumylnonanoate

9-azaniumylnonanoate (PubChem CID 36690094) has the molecular formula C9H19NO2 and a molecular weight of 173.26 g/mol. Its IUPAC name is 9-azaniumylnonanoate.

Molecular Properties

Compound Name9-azaniumylnonanoate
PubChem CID36690094
Molecular FormulaC9H19NO2
Molecular Weight173.26 g/mol
Exact Mass173.14
IUPAC Name9-azaniumylnonanoate
SMILES[NH3+]CCCCCCCCC(=O)[O-]
InChIInChI=1S/C9H19NO2/c10-8-6-4-2-1-3-5-7-9(11)12/h1-8,10H2,(H,11,12)
InChIKeyVWPQCOZMXULHDM-UHFFFAOYSA-N
XLogP-0.29
TPSA67.77 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds8
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500173.26
LogP ≤ 5-0.29
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
2-Azaniumyloctanoate
CID 25200752
Decanedioic acid, compd. with 1,6-hexanediamine (1:1)
CID 165736
8-Azaniumyl-7-oxononanoate
CID 25244029
6-Azaniumylhexanoate
CID 517030
10-Aminodecanoic acid
CID 83150
9-Aminononanoic acid
CID 136877
Dodecanedioic acid, compd. with 1,6-hexanediamine (1:1)
CID 83216
(S)-8-amino-7-oxononanoate
CID 36688192

Frequently Asked Questions

What is the IUPAC name of 9-azaniumylnonanoate?
The IUPAC name of 9-azaniumylnonanoate (CID 36690094) is 9-azaniumylnonanoate.
What is the SMILES notation for 9-azaniumylnonanoate?
The canonical SMILES for 9-azaniumylnonanoate is [NH3+]CCCCCCCCC(=O)[O-].
What is the InChIKey of 9-azaniumylnonanoate?
The InChIKey is VWPQCOZMXULHDM-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H19NO2/c10-8-6-4-2-1-3-5-7-9(11)12/h1-8,10H2,(H,11,12).
What are the key properties of 9-azaniumylnonanoate?
9-azaniumylnonanoate has a molecular weight of 173.26 g/mol, XLogP of -0.29, 8 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 9-azaniumylnonanoate is sourced from PubChem (CID 36690094), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).