ethyl 3-[3-hydroxypropyl(methyl)amino]propanoate

C9H19NO3 — CID 62012804

IUPACethyl 3-[3-hydroxypropyl(methyl)amino]propanoate
SMILESCCOC(=O)CCN(C)CCCO
InChIInChI=1S/C9H19NO3/c1-3-13-9(12)5-7-10(2)6-4-8-11/h11H,3-8H2,1-2H3
InChIKeyOZXQCEOABGWCCG-UHFFFAOYSA-N
MW189.25 g/mol
LogP0.25
Rot. Bonds7

About ethyl 3-[3-hydroxypropyl(methyl)amino]propanoate

ethyl 3-[3-hydroxypropyl(methyl)amino]propanoate (PubChem CID 62012804) has the molecular formula C9H19NO3 and a molecular weight of 189.25 g/mol. Its IUPAC name is ethyl 3-[3-hydroxypropyl(methyl)amino]propanoate.

Molecular Properties

Compound Nameethyl 3-[3-hydroxypropyl(methyl)amino]propanoate
PubChem CID62012804
Molecular FormulaC9H19NO3
Molecular Weight189.25 g/mol
Exact Mass189.14
IUPAC Nameethyl 3-[3-hydroxypropyl(methyl)amino]propanoate
SMILESCCOC(=O)CCN(C)CCCO
InChIInChI=1S/C9H19NO3/c1-3-13-9(12)5-7-10(2)6-4-8-11/h11H,3-8H2,1-2H3
InChIKeyOZXQCEOABGWCCG-UHFFFAOYSA-N
XLogP0.25
TPSA49.77 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500189.25
LogP ≤ 50.25
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

ethyl 3-[3-ethoxypropyl(methyl)amino]propanoate
CID 65180568
ethyl 4-[methyl(propyl)amino]butanoate
CID 164991829
ethyl 3-[methyl(pent-4-ynyl)amino]propanoate
CID 115872974
ethyl 3-hydroxypropanoate
CID 160663371
cyclohexane;ethyl 4-hydroxybutanoate
CID 67158425
acetic acid;ethyl 4-hydroxybutanoate
CID 173148850
ethyl 3-[methyl(3-pyrrolidin-1-ylpropyl)amino]propanoate
CID 62011437
ethyl 3-[2-[bis(3-ethoxy-3-oxopropyl)amino]ethyl-(3-ethoxy-3-oxopropyl)amino]propanoate
CID 87322437
butan-1-ol;ethyl butanoate;methane
CID 159268978
ethyl 3-[[3-(ethylamino)-3-oxopropyl]-methylamino]propanoate
CID 62326480
diethyl hexanedioate
CID 160747628
(ethyl 3-hydroxypropanoate);hexane
CID 173284299

Frequently Asked Questions

What is the IUPAC name of ethyl 3-[3-hydroxypropyl(methyl)amino]propanoate?
The IUPAC name of ethyl 3-[3-hydroxypropyl(methyl)amino]propanoate (CID 62012804) is ethyl 3-[3-hydroxypropyl(methyl)amino]propanoate.
What is the SMILES notation for ethyl 3-[3-hydroxypropyl(methyl)amino]propanoate?
The canonical SMILES for ethyl 3-[3-hydroxypropyl(methyl)amino]propanoate is CCOC(=O)CCN(C)CCCO.
What is the InChIKey of ethyl 3-[3-hydroxypropyl(methyl)amino]propanoate?
The InChIKey is OZXQCEOABGWCCG-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H19NO3/c1-3-13-9(12)5-7-10(2)6-4-8-11/h11H,3-8H2,1-2H3.
What are the key properties of ethyl 3-[3-hydroxypropyl(methyl)amino]propanoate?
ethyl 3-[3-hydroxypropyl(methyl)amino]propanoate has a molecular weight of 189.25 g/mol, XLogP of 0.25, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 3-[3-hydroxypropyl(methyl)amino]propanoate is sourced from PubChem (CID 62012804), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).