dodecylazanium;2-hydroxyacetate

C14H31NO3 — CID 19892967

IUPACdodecylazanium;2-hydroxyacetate
SMILESCCCCCCCCCCCC[NH3+].O=C([O-])CO
InChIInChI=1S/C12H27N.C2H4O3/c1-2-3-4-5-6-7-8-9-10-11-12-13;3-1-2(4)5/h2-13H2,1H3;3H,1H2,(H,4,5)
InChIKeyXXNWIKIKVRHTJG-UHFFFAOYSA-N
MW261.41 g/mol
LogP0.88
Rot. Bonds11

About dodecylazanium;2-hydroxyacetate

dodecylazanium;2-hydroxyacetate (PubChem CID 19892967) has the molecular formula C14H31NO3 and a molecular weight of 261.41 g/mol. Its IUPAC name is dodecylazanium;2-hydroxyacetate.

Molecular Properties

Compound Namedodecylazanium;2-hydroxyacetate
PubChem CID19892967
Molecular FormulaC14H31NO3
Molecular Weight261.41 g/mol
Exact Mass261.23
IUPAC Namedodecylazanium;2-hydroxyacetate
SMILESCCCCCCCCCCCC[NH3+].O=C([O-])CO
InChIInChI=1S/C12H27N.C2H4O3/c1-2-3-4-5-6-7-8-9-10-11-12-13;3-1-2(4)5/h2-13H2,1H3;3H,1H2,(H,4,5)
InChIKeyXXNWIKIKVRHTJG-UHFFFAOYSA-N
XLogP0.88
TPSA88.00 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds11
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500261.41
LogP ≤ 50.88
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

octylazanium;carbonate
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dodecylazanium;octadecanoate
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nonylazanium;octadecanoate
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dodecylazanium;2-hydroxypropanoate
CID 53471559
docosanoate;bis(3-hydroxypropylazanium);chloride
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(Z)-octadec-9-enoate;octylazanium
CID 135289707
butylazanium;oxalate
CID 19844195
tris(octadecylazanium);tribromide
CID 141071881
undecylazanium bromide
CID 87480687
tetratriacontylazanium bromide
CID 141191350
dodecylazanium;hydrochloride
CID 22568612
hexylazanium;16-methylheptadecanoate
CID 154824431

Frequently Asked Questions

What is the IUPAC name of dodecylazanium;2-hydroxyacetate?
The IUPAC name of dodecylazanium;2-hydroxyacetate (CID 19892967) is dodecylazanium;2-hydroxyacetate.
What is the SMILES notation for dodecylazanium;2-hydroxyacetate?
The canonical SMILES for dodecylazanium;2-hydroxyacetate is CCCCCCCCCCCC[NH3+].O=C([O-])CO.
What is the InChIKey of dodecylazanium;2-hydroxyacetate?
The InChIKey is XXNWIKIKVRHTJG-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H27N.C2H4O3/c1-2-3-4-5-6-7-8-9-10-11-12-13;3-1-2(4)5/h2-13H2,1H3;3H,1H2,(H,4,5).
What are the key properties of dodecylazanium;2-hydroxyacetate?
dodecylazanium;2-hydroxyacetate has a molecular weight of 261.41 g/mol, XLogP of 0.88, 11 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for dodecylazanium;2-hydroxyacetate is sourced from PubChem (CID 19892967), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).