dodecylazanium;2-hydroxypropanoate

C15H33NO3 — CID 53471559

IUPACdodecylazanium;2-hydroxypropanoate
SMILESCC(O)C(=O)[O-].CCCCCCCCCCCC[NH3+]
InChIInChI=1S/C12H27N.C3H6O3/c1-2-3-4-5-6-7-8-9-10-11-12-13;1-2(4)3(5)6/h2-13H2,1H3;2,4H,1H3,(H,5,6)
InChIKeyGVHKXTXVQJKDEQ-UHFFFAOYSA-N
MW275.43 g/mol
LogP1.27
Rot. Bonds11

About dodecylazanium;2-hydroxypropanoate

dodecylazanium;2-hydroxypropanoate (PubChem CID 53471559) has the molecular formula C15H33NO3 and a molecular weight of 275.43 g/mol. Its IUPAC name is dodecylazanium;2-hydroxypropanoate.

Molecular Properties

Compound Namedodecylazanium;2-hydroxypropanoate
PubChem CID53471559
Molecular FormulaC15H33NO3
Molecular Weight275.43 g/mol
Exact Mass275.25
IUPAC Namedodecylazanium;2-hydroxypropanoate
SMILESCC(O)C(=O)[O-].CCCCCCCCCCCC[NH3+]
InChIInChI=1S/C12H27N.C3H6O3/c1-2-3-4-5-6-7-8-9-10-11-12-13;1-2(4)3(5)6/h2-13H2,1H3;2,4H,1H3,(H,5,6)
InChIKeyGVHKXTXVQJKDEQ-UHFFFAOYSA-N
XLogP1.27
TPSA88.00 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds11
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500275.43
LogP ≤ 51.27
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

Analyze dodecylazanium;2-hydroxypropanoate 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

octylazanium;carbonate
CID 141329834
2-hydroxypropanoate;tritriacontan-17-ylazanium
CID 139671154
dodecylazanium;2-hydroxyacetate
CID 19892967
2-hydroxypropanoate;tetrabutylazanium
CID 15404302
dodecylazanium;octadecanoate
CID 21217555
nonylazanium;octadecanoate
CID 21217491
hexylazanium;16-methylheptadecanoate
CID 154824431
pentadecylazanium;(2R,3R,4R,5S)-2,3,4,5-tetrahydroxy-6-oxo-6-(pentadecylamino)hexanoate
CID 142553465
butylazanium;oxalate
CID 19844195
butylazanium;(2S,3S)-2,3-dihydroxybutanedioic acid;(2S,3S)-2,3,4-trihydroxy-4-oxobutanoate;hydrate
CID 139045335
tris(octadecylazanium);tribromide
CID 141071881
tetratriacontylazanium bromide
CID 141191350

Frequently Asked Questions

What is the IUPAC name of dodecylazanium;2-hydroxypropanoate?
The IUPAC name of dodecylazanium;2-hydroxypropanoate (CID 53471559) is dodecylazanium;2-hydroxypropanoate.
What is the SMILES notation for dodecylazanium;2-hydroxypropanoate?
The canonical SMILES for dodecylazanium;2-hydroxypropanoate is CC(O)C(=O)[O-].CCCCCCCCCCCC[NH3+].
What is the InChIKey of dodecylazanium;2-hydroxypropanoate?
The InChIKey is GVHKXTXVQJKDEQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H27N.C3H6O3/c1-2-3-4-5-6-7-8-9-10-11-12-13;1-2(4)3(5)6/h2-13H2,1H3;2,4H,1H3,(H,5,6).
What are the key properties of dodecylazanium;2-hydroxypropanoate?
dodecylazanium;2-hydroxypropanoate has a molecular weight of 275.43 g/mol, XLogP of 1.27, 11 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for dodecylazanium;2-hydroxypropanoate is sourced from PubChem (CID 53471559), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).