methyl 3-[[3-(2-ethoxyethoxy)-2-hydroxypropyl]amino]propanoate

C11H23NO5 — CID 54935728

IUPACmethyl 3-[[3-(2-ethoxyethoxy)-2-hydroxypropyl]amino]propanoate
SMILESCCOCCOCC(O)CNCCC(=O)OC
InChIInChI=1S/C11H23NO5/c1-3-16-6-7-17-9-10(13)8-12-5-4-11(14)15-2/h10,12-13H,3-9H2,1-2H3
InChIKeyMKRHLPCHVSHSEZ-UHFFFAOYSA-N
MW249.31 g/mol
LogP-0.45
Rot. Bonds11

About methyl 3-[[3-(2-ethoxyethoxy)-2-hydroxypropyl]amino]propanoate

methyl 3-[[3-(2-ethoxyethoxy)-2-hydroxypropyl]amino]propanoate (PubChem CID 54935728) has the molecular formula C11H23NO5 and a molecular weight of 249.31 g/mol. Its IUPAC name is methyl 3-[[3-(2-ethoxyethoxy)-2-hydroxypropyl]amino]propanoate.

Molecular Properties

Compound Namemethyl 3-[[3-(2-ethoxyethoxy)-2-hydroxypropyl]amino]propanoate
PubChem CID54935728
Molecular FormulaC11H23NO5
Molecular Weight249.31 g/mol
Exact Mass249.16
IUPAC Namemethyl 3-[[3-(2-ethoxyethoxy)-2-hydroxypropyl]amino]propanoate
SMILESCCOCCOCC(O)CNCCC(=O)OC
InChIInChI=1S/C11H23NO5/c1-3-16-6-7-17-9-10(13)8-12-5-4-11(14)15-2/h10,12-13H,3-9H2,1-2H3
InChIKeyMKRHLPCHVSHSEZ-UHFFFAOYSA-N
XLogP-0.45
TPSA77.02 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds11
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500249.31
LogP ≤ 5-0.45
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

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Related Compounds

3-[[3-(2-ethoxyethoxy)-2-hydroxypropyl]amino]propanamide
CID 60910580
methyl 3-[(2-hydroxy-3-methoxypropyl)amino]propanoate
CID 63930269
methyl 3-[[2-hydroxy-3-(4-methylpentoxy)propyl]amino]propanoate
CID 54935915
1-(2-aminoethylamino)-3-(2-ethoxyethoxy)propan-2-ol
CID 62141108
1-(2-ethoxyethoxy)-3-(pentylamino)propan-2-ol
CID 60632874
ethyl 3-hydroxy-4-[(3-methoxy-3-oxopropyl)amino]butanoate
CID 103240342
1-(2-ethoxyethoxy)-3-(2-methylsulfanylethylamino)propan-2-ol
CID 63965990
3-[[3-(2-ethoxyethoxy)-2-hydroxypropyl]amino]-2-hydroxypropanamide
CID 106174317
1-(2-ethoxyethoxy)-3-[2-[2-methoxyethyl(methyl)amino]ethylamino]propan-2-ol
CID 62844325
1-(2,3-dimethoxypropylamino)-3-(2-ethoxyethoxy)propan-2-ol
CID 114099796
2-[(3-ethoxy-2-hydroxypropyl)amino]ethyl carbamate
CID 83210726
3-[(3-butoxy-2-hydroxypropyl)amino]propanamide
CID 107262577

Frequently Asked Questions

What is the IUPAC name of methyl 3-[[3-(2-ethoxyethoxy)-2-hydroxypropyl]amino]propanoate?
The IUPAC name of methyl 3-[[3-(2-ethoxyethoxy)-2-hydroxypropyl]amino]propanoate (CID 54935728) is methyl 3-[[3-(2-ethoxyethoxy)-2-hydroxypropyl]amino]propanoate.
What is the SMILES notation for methyl 3-[[3-(2-ethoxyethoxy)-2-hydroxypropyl]amino]propanoate?
The canonical SMILES for methyl 3-[[3-(2-ethoxyethoxy)-2-hydroxypropyl]amino]propanoate is CCOCCOCC(O)CNCCC(=O)OC.
What is the InChIKey of methyl 3-[[3-(2-ethoxyethoxy)-2-hydroxypropyl]amino]propanoate?
The InChIKey is MKRHLPCHVSHSEZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H23NO5/c1-3-16-6-7-17-9-10(13)8-12-5-4-11(14)15-2/h10,12-13H,3-9H2,1-2H3.
What are the key properties of methyl 3-[[3-(2-ethoxyethoxy)-2-hydroxypropyl]amino]propanoate?
methyl 3-[[3-(2-ethoxyethoxy)-2-hydroxypropyl]amino]propanoate has a molecular weight of 249.31 g/mol, XLogP of -0.45, 11 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 3-[[3-(2-ethoxyethoxy)-2-hydroxypropyl]amino]propanoate is sourced from PubChem (CID 54935728), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).