2-[3-[bis(2-hydroxyethyl)amino]propanoyloxy]ethyl-dimethylazanium chloride

C11H25ClN2O4 — CID 89232161

IUPAC2-[3-[bis(2-hydroxyethyl)amino]propanoyloxy]ethyl-dimethylazanium chloride
SMILESC[NH+](C)CCOC(=O)CCN(CCO)CCO.[Cl-]
InChIInChI=1S/C11H24N2O4.ClH/c1-12(2)7-10-17-11(16)3-4-13(5-8-14)6-9-15;/h14-15H,3-10H2,1-2H3;1H
InChIKeyFVFFGPXDCDJHSM-UHFFFAOYSA-N
MW284.78 g/mol
LogP-5.65
Rot. Bonds10

About 2-[3-[bis(2-hydroxyethyl)amino]propanoyloxy]ethyl-dimethylazanium chloride

2-[3-[bis(2-hydroxyethyl)amino]propanoyloxy]ethyl-dimethylazanium chloride (PubChem CID 89232161) has the molecular formula C11H25ClN2O4 and a molecular weight of 284.78 g/mol. Its IUPAC name is 2-[3-[bis(2-hydroxyethyl)amino]propanoyloxy]ethyl-dimethylazanium chloride.

Molecular Properties

Compound Name2-[3-[bis(2-hydroxyethyl)amino]propanoyloxy]ethyl-dimethylazanium chloride
PubChem CID89232161
Molecular FormulaC11H25ClN2O4
Molecular Weight284.78 g/mol
Exact Mass284.15
IUPAC Name2-[3-[bis(2-hydroxyethyl)amino]propanoyloxy]ethyl-dimethylazanium chloride
SMILESC[NH+](C)CCOC(=O)CCN(CCO)CCO.[Cl-]
InChIInChI=1S/C11H24N2O4.ClH/c1-12(2)7-10-17-11(16)3-4-13(5-8-14)6-9-15;/h14-15H,3-10H2,1-2H3;1H
InChIKeyFVFFGPXDCDJHSM-UHFFFAOYSA-N
XLogP-5.65
TPSA74.44 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds10
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500284.78
LogP ≤ 5-5.65
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

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Related Compounds

2-(dioctadecylamino)ethyl 3-[2-[[3-[2-(dioctadecylamino)ethoxy]-3-oxopropyl]-(2-hydroxyethyl)amino]ethyl-(2-hydroxyethyl)amino]propanoate
CID 168851339
4-[2-(dimethylazaniumyl)ethoxy]-4-oxobutanoate
CID 59133643
2-[[3-[2-[[3-[4-[3-[bis[2-[3-[bis[2-[3-[bis(2-hydroxyethyl)amino]propanoyloxy]ethyl]amino]propanoyloxy]ethyl]amino]propanoyl]piperazin-1-yl]-3-oxopropyl]-[2-[3-[bis[2-[3-[bis(2-hydroxyethyl)amino]propanoyloxy]ethyl]amino]propanoyloxy]ethyl]amino]ethoxy]-3-oxopropyl]-[2-[3-[bis(2-hydroxyethyl)amino]propanoyloxy]ethyl]amino]ethyl 3-[bis(2-hydroxyethyl)amino]propanoate
CID 101212752
butyl 3-[bis(3-butoxy-3-oxopropyl)amino]propanoate
CID 59204058
2-(octyldisulfanyl)ethyl 3-[3-[2-hydroxyethyl-[3-[2-(octyldisulfanyl)ethoxy]-3-oxopropyl]amino]propyl-[3-[2-(octyldisulfanyl)ethoxy]-3-oxopropyl]amino]propanoate
CID 169182869
2-hydroxyethyl 3-(dimethylamino)propanoate
CID 20769160
pentyl 4-[2-hydroxyethyl(nonyl)amino]butanoate
CID 129286302
undecyl 6-[hexadecyl(2-hydroxyethyl)amino]hexanoate
CID 163381111
2-iodoethyl 3-[2-hydroxyethyl(methyl)amino]propanoate
CID 171562584
propyl 3-[butyl-(3-oxo-3-propoxypropyl)amino]propanoate
CID 58040528
ethyl 3-[2-[bis(3-ethoxy-3-oxopropyl)amino]ethyl-(3-ethoxy-3-oxopropyl)amino]propanoate
CID 87322437
2-[ethyl(2-hydroxyethyl)amino]ethyl 3-iodopropanoate
CID 162508997

Frequently Asked Questions

What is the IUPAC name of 2-[3-[bis(2-hydroxyethyl)amino]propanoyloxy]ethyl-dimethylazanium chloride?
The IUPAC name of 2-[3-[bis(2-hydroxyethyl)amino]propanoyloxy]ethyl-dimethylazanium chloride (CID 89232161) is 2-[3-[bis(2-hydroxyethyl)amino]propanoyloxy]ethyl-dimethylazanium chloride.
What is the SMILES notation for 2-[3-[bis(2-hydroxyethyl)amino]propanoyloxy]ethyl-dimethylazanium chloride?
The canonical SMILES for 2-[3-[bis(2-hydroxyethyl)amino]propanoyloxy]ethyl-dimethylazanium chloride is C[NH+](C)CCOC(=O)CCN(CCO)CCO.[Cl-].
What is the InChIKey of 2-[3-[bis(2-hydroxyethyl)amino]propanoyloxy]ethyl-dimethylazanium chloride?
The InChIKey is FVFFGPXDCDJHSM-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H24N2O4.ClH/c1-12(2)7-10-17-11(16)3-4-13(5-8-14)6-9-15;/h14-15H,3-10H2,1-2H3;1H.
What are the key properties of 2-[3-[bis(2-hydroxyethyl)amino]propanoyloxy]ethyl-dimethylazanium chloride?
2-[3-[bis(2-hydroxyethyl)amino]propanoyloxy]ethyl-dimethylazanium chloride has a molecular weight of 284.78 g/mol, XLogP of -5.65, 10 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[3-[bis(2-hydroxyethyl)amino]propanoyloxy]ethyl-dimethylazanium chloride is sourced from PubChem (CID 89232161), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).