azanium 2-hydroxydodecanoate

C12H27NO3 — CID 139935066

IUPACazanium 2-hydroxydodecanoate
SMILESCCCCCCCCCCC(O)C(=O)[O-].[NH4+]
InChIInChI=1S/C12H24O3.H3N/c1-2-3-4-5-6-7-8-9-10-11(13)12(14)15;/h11,13H,2-10H2,1H3,(H,14,15);1H3
InChIKeyFSPFDTRPEHYKMW-UHFFFAOYSA-N
MW233.35 g/mol
LogP2.00
Rot. Bonds10

About azanium 2-hydroxydodecanoate

azanium 2-hydroxydodecanoate (PubChem CID 139935066) has the molecular formula C12H27NO3 and a molecular weight of 233.35 g/mol. Its IUPAC name is azanium 2-hydroxydodecanoate.

Molecular Properties

Compound Nameazanium 2-hydroxydodecanoate
PubChem CID139935066
Molecular FormulaC12H27NO3
Molecular Weight233.35 g/mol
Exact Mass233.20
IUPAC Nameazanium 2-hydroxydodecanoate
SMILESCCCCCCCCCCC(O)C(=O)[O-].[NH4+]
InChIInChI=1S/C12H24O3.H3N/c1-2-3-4-5-6-7-8-9-10-11(13)12(14)15;/h11,13H,2-10H2,1H3,(H,14,15);1H3
InChIKeyFSPFDTRPEHYKMW-UHFFFAOYSA-N
XLogP2.00
TPSA96.86 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds10
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500233.35
LogP ≤ 52.00
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

(2S)-2-hydroxyoctadecanoate
CID 21145041
2-hydroxydocosanoate
CID 22361325
zinc bis(2-hydroxyhexadecanoate)
CID 159204851
strontium bis(2-hydroxytetradecanoate)
CID 19990057
(2R)-2-hydroxyheptanoate
CID 7054559
bis(butan-1-olate);bis(2-hydroxydecanoate);titanium(4+)
CID 173116616
magnesium bis(2-hydroxyhexanoate)
CID 139844837
sodium (Z)-2-hydroxyicos-11-enoate
CID 141048065
(12Z,15Z,18Z,21Z,24Z)-2-hydroxytriaconta-12,15,18,21,24-pentaenoate
CID 86583452
diazanium;2-hexadecylpropanedioate
CID 156776490
sodium 5-heptyl-2-hydroxy-4-oxotetradecanoate
CID 88635824
2-hydroxytridecanoic acid
CID 5282901

Frequently Asked Questions

What is the IUPAC name of azanium 2-hydroxydodecanoate?
The IUPAC name of azanium 2-hydroxydodecanoate (CID 139935066) is azanium 2-hydroxydodecanoate.
What is the SMILES notation for azanium 2-hydroxydodecanoate?
The canonical SMILES for azanium 2-hydroxydodecanoate is CCCCCCCCCCC(O)C(=O)[O-].[NH4+].
What is the InChIKey of azanium 2-hydroxydodecanoate?
The InChIKey is FSPFDTRPEHYKMW-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H24O3.H3N/c1-2-3-4-5-6-7-8-9-10-11(13)12(14)15;/h11,13H,2-10H2,1H3,(H,14,15);1H3.
What are the key properties of azanium 2-hydroxydodecanoate?
azanium 2-hydroxydodecanoate has a molecular weight of 233.35 g/mol, XLogP of 2.00, 10 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for azanium 2-hydroxydodecanoate is sourced from PubChem (CID 139935066), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).