[2-hydroxyethyl(methyl)amino] octanoate

C11H23NO3 — CID 175189868

IUPAC[2-hydroxyethyl(methyl)amino] octanoate
SMILESCCCCCCCC(=O)ON(C)CCO
InChIInChI=1S/C11H23NO3/c1-3-4-5-6-7-8-11(14)15-12(2)9-10-13/h13H,3-10H2,1-2H3
InChIKeyHOFPPJPXNBTYSQ-UHFFFAOYSA-N
MW217.31 g/mol
LogP1.73
Rot. Bonds9

About [2-hydroxyethyl(methyl)amino] octanoate

[2-hydroxyethyl(methyl)amino] octanoate (PubChem CID 175189868) has the molecular formula C11H23NO3 and a molecular weight of 217.31 g/mol. Its IUPAC name is [2-hydroxyethyl(methyl)amino] octanoate.

Molecular Properties

Compound Name[2-hydroxyethyl(methyl)amino] octanoate
PubChem CID175189868
Molecular FormulaC11H23NO3
Molecular Weight217.31 g/mol
Exact Mass217.17
IUPAC Name[2-hydroxyethyl(methyl)amino] octanoate
SMILESCCCCCCCC(=O)ON(C)CCO
InChIInChI=1S/C11H23NO3/c1-3-4-5-6-7-8-11(14)15-12(2)9-10-13/h13H,3-10H2,1-2H3
InChIKeyHOFPPJPXNBTYSQ-UHFFFAOYSA-N
XLogP1.73
TPSA49.77 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds9
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500217.31
LogP ≤ 51.73
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

sodium;[bis(2-hydroxyethyl)amino] dodecanoate;hydride
CID 175434885
[3-(hexadecanoylamino)propyl-methylamino] tetradecanoate
CID 100955044
dimethylamino pentadecanoate
CID 57147620
3-[hexadecanoyloxy(methyl)amino]propyl-(1-hydroxyhexadecylidene)azanium
CID 100955041
butyl(dodecanoyloxy)carbamic acid
CID 54414484
1-[2-hydroxyethyl(1-octadecanoyloxyethyl)amino]ethyl octadecanoate
CID 90103858
2-(dimethylamino)ethanol;octacosanoic acid
CID 71441848
undecyl 6-[hexadecyl(2-hydroxyethyl)amino]hexanoate
CID 163381111
CID 142695322
CID 142695322
dodecanoyl dodecanoate;ethanol
CID 157135932
[methyl(tridecyl)amino] acetate
CID 87650867
pentadecanoyl hexadecanoate
CID 87499774

Frequently Asked Questions

What is the IUPAC name of [2-hydroxyethyl(methyl)amino] octanoate?
The IUPAC name of [2-hydroxyethyl(methyl)amino] octanoate (CID 175189868) is [2-hydroxyethyl(methyl)amino] octanoate.
What is the SMILES notation for [2-hydroxyethyl(methyl)amino] octanoate?
The canonical SMILES for [2-hydroxyethyl(methyl)amino] octanoate is CCCCCCCC(=O)ON(C)CCO.
What is the InChIKey of [2-hydroxyethyl(methyl)amino] octanoate?
The InChIKey is HOFPPJPXNBTYSQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H23NO3/c1-3-4-5-6-7-8-11(14)15-12(2)9-10-13/h13H,3-10H2,1-2H3.
What are the key properties of [2-hydroxyethyl(methyl)amino] octanoate?
[2-hydroxyethyl(methyl)amino] octanoate has a molecular weight of 217.31 g/mol, XLogP of 1.73, 9 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [2-hydroxyethyl(methyl)amino] octanoate is sourced from PubChem (CID 175189868), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).