10-azaniumyldecanoate

C10H21NO2 — CID 2063379

IUPAC10-azaniumyldecanoate
SMILES[NH3+]CCCCCCCCCC(=O)[O-]
InChIInChI=1S/C10H21NO2/c11-9-7-5-3-1-2-4-6-8-10(12)13/h1-9,11H2,(H,12,13)
InChIKeyXAUQWYHSQICPAZ-UHFFFAOYSA-N
MW187.28 g/mol
LogP0.10
Rot. Bonds9

About 10-azaniumyldecanoate

10-azaniumyldecanoate (PubChem CID 2063379) has the molecular formula C10H21NO2 and a molecular weight of 187.28 g/mol. Its IUPAC name is 10-azaniumyldecanoate.

Molecular Properties

Compound Name10-azaniumyldecanoate
PubChem CID2063379
Molecular FormulaC10H21NO2
Molecular Weight187.28 g/mol
Exact Mass187.16
IUPAC Name10-azaniumyldecanoate
SMILES[NH3+]CCCCCCCCCC(=O)[O-]
InChIInChI=1S/C10H21NO2/c11-9-7-5-3-1-2-4-6-8-10(12)13/h1-9,11H2,(H,12,13)
InChIKeyXAUQWYHSQICPAZ-UHFFFAOYSA-N
XLogP0.10
TPSA67.77 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds9
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500187.28
LogP ≤ 50.10
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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Frequently Asked Questions

What is the IUPAC name of 10-azaniumyldecanoate?
The IUPAC name of 10-azaniumyldecanoate (CID 2063379) is 10-azaniumyldecanoate.
What is the SMILES notation for 10-azaniumyldecanoate?
The canonical SMILES for 10-azaniumyldecanoate is [NH3+]CCCCCCCCCC(=O)[O-].
What is the InChIKey of 10-azaniumyldecanoate?
The InChIKey is XAUQWYHSQICPAZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H21NO2/c11-9-7-5-3-1-2-4-6-8-10(12)13/h1-9,11H2,(H,12,13).
What are the key properties of 10-azaniumyldecanoate?
10-azaniumyldecanoate has a molecular weight of 187.28 g/mol, XLogP of 0.10, 9 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 10-azaniumyldecanoate is sourced from PubChem (CID 2063379), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).