2-hydroxyethyl 3-(dimethylamino)propanoate

C7H15NO3 — CID 20769160

IUPAC2-hydroxyethyl 3-(dimethylamino)propanoate
SMILESCN(C)CCC(=O)OCCO
InChIInChI=1S/C7H15NO3/c1-8(2)4-3-7(10)11-6-5-9/h9H,3-6H2,1-2H3
InChIKeyRIJBUJAQYOOODA-UHFFFAOYSA-N
MW161.20 g/mol
LogP-0.53
Rot. Bonds5

About 2-hydroxyethyl 3-(dimethylamino)propanoate

2-hydroxyethyl 3-(dimethylamino)propanoate (PubChem CID 20769160) has the molecular formula C7H15NO3 and a molecular weight of 161.20 g/mol. Its IUPAC name is 2-hydroxyethyl 3-(dimethylamino)propanoate.

Molecular Properties

Compound Name2-hydroxyethyl 3-(dimethylamino)propanoate
PubChem CID20769160
Molecular FormulaC7H15NO3
Molecular Weight161.20 g/mol
Exact Mass161.11
IUPAC Name2-hydroxyethyl 3-(dimethylamino)propanoate
SMILESCN(C)CCC(=O)OCCO
InChIInChI=1S/C7H15NO3/c1-8(2)4-3-7(10)11-6-5-9/h9H,3-6H2,1-2H3
InChIKeyRIJBUJAQYOOODA-UHFFFAOYSA-N
XLogP-0.53
TPSA49.77 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500161.20
LogP ≤ 5-0.53
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

dodecyl 3-(dimethylamino)propanoate
CID 11483031
2-[2-hydroxyethyl(methyl)amino]ethyl propanoate
CID 123682095
[3-(2,2-dimethylhydrazinyl)-3-oxopropyl] 3-(dimethylamino)propanoate
CID 170030362
2-iodoethyl 3-[2-hydroxyethyl(methyl)amino]propanoate
CID 171562584
4-O-(2-hydroxyethyl) 1-O-propyl butanedioate
CID 87981334
methylsulfanylmethyl 3-(dimethylamino)propanoate
CID 129287916
2-(dimethylamino)ethyl 4-oxopentanoate
CID 21027209
2-hydroxyethyl 3-aminopropanoate
CID 22321350
bis(2-hydroxyethyl) heptanedioate
CID 58519890
bis(2-hydroxyethyl) decanedioate
CID 14094566
3-(dimethylamino)propyl 3-sulfanylpropanoate
CID 71427111
2-hydroxyethyl propanoate;propanoic acid
CID 175568032

Frequently Asked Questions

What is the IUPAC name of 2-hydroxyethyl 3-(dimethylamino)propanoate?
The IUPAC name of 2-hydroxyethyl 3-(dimethylamino)propanoate (CID 20769160) is 2-hydroxyethyl 3-(dimethylamino)propanoate.
What is the SMILES notation for 2-hydroxyethyl 3-(dimethylamino)propanoate?
The canonical SMILES for 2-hydroxyethyl 3-(dimethylamino)propanoate is CN(C)CCC(=O)OCCO.
What is the InChIKey of 2-hydroxyethyl 3-(dimethylamino)propanoate?
The InChIKey is RIJBUJAQYOOODA-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H15NO3/c1-8(2)4-3-7(10)11-6-5-9/h9H,3-6H2,1-2H3.
What are the key properties of 2-hydroxyethyl 3-(dimethylamino)propanoate?
2-hydroxyethyl 3-(dimethylamino)propanoate has a molecular weight of 161.20 g/mol, XLogP of -0.53, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-hydroxyethyl 3-(dimethylamino)propanoate is sourced from PubChem (CID 20769160), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).