methyl 3-[(2-hydroxy-2-phenylethyl)-(2-methoxyethyl)amino]propanoate

C15H23NO4 — CID 78959230

IUPACmethyl 3-[(2-hydroxy-2-phenylethyl)-(2-methoxyethyl)amino]propanoate
SMILESCOCCN(CCC(=O)OC)CC(O)c1ccccc1
InChIInChI=1S/C15H23NO4/c1-19-11-10-16(9-8-15(18)20-2)12-14(17)13-6-4-3-5-7-13/h3-7,14,17H,8-12H2,1-2H3
InChIKeyKEZJVBOCPICPIB-UHFFFAOYSA-N
MW281.35 g/mol
LogP1.23
Rot. Bonds9

About methyl 3-[(2-hydroxy-2-phenylethyl)-(2-methoxyethyl)amino]propanoate

methyl 3-[(2-hydroxy-2-phenylethyl)-(2-methoxyethyl)amino]propanoate (PubChem CID 78959230) has the molecular formula C15H23NO4 and a molecular weight of 281.35 g/mol. Its IUPAC name is methyl 3-[(2-hydroxy-2-phenylethyl)-(2-methoxyethyl)amino]propanoate.

Molecular Properties

Compound Namemethyl 3-[(2-hydroxy-2-phenylethyl)-(2-methoxyethyl)amino]propanoate
PubChem CID78959230
Molecular FormulaC15H23NO4
Molecular Weight281.35 g/mol
Exact Mass281.16
IUPAC Namemethyl 3-[(2-hydroxy-2-phenylethyl)-(2-methoxyethyl)amino]propanoate
SMILESCOCCN(CCC(=O)OC)CC(O)c1ccccc1
InChIInChI=1S/C15H23NO4/c1-19-11-10-16(9-8-15(18)20-2)12-14(17)13-6-4-3-5-7-13/h3-7,14,17H,8-12H2,1-2H3
InChIKeyKEZJVBOCPICPIB-UHFFFAOYSA-N
XLogP1.23
TPSA59.00 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds9
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500281.35
LogP ≤ 51.23
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

methyl 3-[2,2-dimethoxyethyl(2-methoxyethyl)amino]propanoate
CID 115536455
methyl 3-[2-methoxyethyl-[(E)-3-phenylprop-2-enyl]amino]propanoate
CID 78960724
methyl 3-[2-ethylbutyl(2-methoxyethyl)amino]propanoate
CID 82930234
2-[bis(2-methoxyethyl)amino]-1-(4-methoxyphenyl)ethanol
CID 60980971
methyl 3-[(2-chloro-2-phenylacetyl)-(2-methoxyethyl)amino]propanoate
CID 115534215
2-[2-methoxyethyl-[(3-methoxyphenyl)methyl]amino]-1-phenylethanol
CID 24713596
methyl (5S)-5-hydroxy-5-phenylpentanoate
CID 25209922
(1R)-2-[2-methoxyethyl-[(5-methylthiophen-2-yl)methyl]amino]-1-phenylethanol
CID 93163298
3-[2-methoxyethyl(2-methylpropyl)amino]-1-phenylpropan-1-one
CID 62612759
methyl 8-hydroxy-8-phenyloctanoate
CID 139616789
methyl 3-[[2-hydroxy-3-(1-methoxypropan-2-yloxy)propyl]-(2-methoxyethyl)amino]propanoate
CID 106992885
methyl 3-[(4-ethylphenyl)methyl-(2-methoxyethyl)amino]propanoate
CID 78983733

Frequently Asked Questions

What is the IUPAC name of methyl 3-[(2-hydroxy-2-phenylethyl)-(2-methoxyethyl)amino]propanoate?
The IUPAC name of methyl 3-[(2-hydroxy-2-phenylethyl)-(2-methoxyethyl)amino]propanoate (CID 78959230) is methyl 3-[(2-hydroxy-2-phenylethyl)-(2-methoxyethyl)amino]propanoate.
What is the SMILES notation for methyl 3-[(2-hydroxy-2-phenylethyl)-(2-methoxyethyl)amino]propanoate?
The canonical SMILES for methyl 3-[(2-hydroxy-2-phenylethyl)-(2-methoxyethyl)amino]propanoate is COCCN(CCC(=O)OC)CC(O)c1ccccc1.
What is the InChIKey of methyl 3-[(2-hydroxy-2-phenylethyl)-(2-methoxyethyl)amino]propanoate?
The InChIKey is KEZJVBOCPICPIB-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H23NO4/c1-19-11-10-16(9-8-15(18)20-2)12-14(17)13-6-4-3-5-7-13/h3-7,14,17H,8-12H2,1-2H3.
What are the key properties of methyl 3-[(2-hydroxy-2-phenylethyl)-(2-methoxyethyl)amino]propanoate?
methyl 3-[(2-hydroxy-2-phenylethyl)-(2-methoxyethyl)amino]propanoate has a molecular weight of 281.35 g/mol, XLogP of 1.23, 9 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 3-[(2-hydroxy-2-phenylethyl)-(2-methoxyethyl)amino]propanoate is sourced from PubChem (CID 78959230), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).