methyl 2-(methylamino)-3-(oxolan-3-yloxy)-2-phenylpropanoate

C15H21NO4 — CID 63557499

IUPACmethyl 2-(methylamino)-3-(oxolan-3-yloxy)-2-phenylpropanoate
SMILESCNC(COC1CCOC1)(C(=O)OC)c1ccccc1
InChIInChI=1S/C15H21NO4/c1-16-15(14(17)18-2,12-6-4-3-5-7-12)11-20-13-8-9-19-10-13/h3-7,13,16H,8-11H2,1-2H3
InChIKeyORICLELIXHJMMY-UHFFFAOYSA-N
MW279.34 g/mol
LogP1.08
Rot. Bonds6

About methyl 2-(methylamino)-3-(oxolan-3-yloxy)-2-phenylpropanoate

methyl 2-(methylamino)-3-(oxolan-3-yloxy)-2-phenylpropanoate (PubChem CID 63557499) has the molecular formula C15H21NO4 and a molecular weight of 279.34 g/mol. Its IUPAC name is methyl 2-(methylamino)-3-(oxolan-3-yloxy)-2-phenylpropanoate.

Molecular Properties

Compound Namemethyl 2-(methylamino)-3-(oxolan-3-yloxy)-2-phenylpropanoate
PubChem CID63557499
Molecular FormulaC15H21NO4
Molecular Weight279.34 g/mol
Exact Mass279.15
IUPAC Namemethyl 2-(methylamino)-3-(oxolan-3-yloxy)-2-phenylpropanoate
SMILESCNC(COC1CCOC1)(C(=O)OC)c1ccccc1
InChIInChI=1S/C15H21NO4/c1-16-15(14(17)18-2,12-6-4-3-5-7-12)11-20-13-8-9-19-10-13/h3-7,13,16H,8-11H2,1-2H3
InChIKeyORICLELIXHJMMY-UHFFFAOYSA-N
XLogP1.08
TPSA56.79 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500279.34
LogP ≤ 51.08
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze methyl 2-(methylamino)-3-(oxolan-3-yloxy)-2-phenylpropanoate with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

methyl 3-(cyclopentylmethoxy)-2-(methylamino)-2-phenylpropanoate
CID 66321617
methyl 2-(methylamino)-3-(oxetan-3-ylsulfanyl)-2-phenylpropanoate
CID 79326571
methyl 3-(2-cyclobutylethoxy)-2-(methylamino)-2-phenylpropanoate
CID 106204595
methyl 2-(ethylamino)-4-(oxetan-3-yloxy)-2-phenylbutanoate
CID 102607628
3-(oxetan-3-yloxy)-2-phenyl-2-(propylamino)propanoic acid
CID 102607406
methyl 2-amino-3-cyclobutyloxy-2-phenylpropanoate
CID 55041263
1-(4-methylphenyl)-2-(oxolan-3-yloxy)ethanone
CID 63556467
3-cyclobutyloxy-2-(ethylamino)-2-phenylpropanoic acid
CID 62140295
methyl 2-(methylamino)-4-pentoxy-2-phenylbutanoate
CID 116694335
methyl 2-cyclopropyl-3-(oxolan-3-yloxy)-2-(propylamino)propanoate
CID 63921206
2-(methylamino)-4-(oxan-4-ylsulfanyl)-2-phenylbutanoic acid
CID 116694719
3-cyclobutyloxy-2-phenyl-2-(propylamino)propanoic acid
CID 62140296

Frequently Asked Questions

What is the IUPAC name of methyl 2-(methylamino)-3-(oxolan-3-yloxy)-2-phenylpropanoate?
The IUPAC name of methyl 2-(methylamino)-3-(oxolan-3-yloxy)-2-phenylpropanoate (CID 63557499) is methyl 2-(methylamino)-3-(oxolan-3-yloxy)-2-phenylpropanoate.
What is the SMILES notation for methyl 2-(methylamino)-3-(oxolan-3-yloxy)-2-phenylpropanoate?
The canonical SMILES for methyl 2-(methylamino)-3-(oxolan-3-yloxy)-2-phenylpropanoate is CNC(COC1CCOC1)(C(=O)OC)c1ccccc1.
What is the InChIKey of methyl 2-(methylamino)-3-(oxolan-3-yloxy)-2-phenylpropanoate?
The InChIKey is ORICLELIXHJMMY-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H21NO4/c1-16-15(14(17)18-2,12-6-4-3-5-7-12)11-20-13-8-9-19-10-13/h3-7,13,16H,8-11H2,1-2H3.
What are the key properties of methyl 2-(methylamino)-3-(oxolan-3-yloxy)-2-phenylpropanoate?
methyl 2-(methylamino)-3-(oxolan-3-yloxy)-2-phenylpropanoate has a molecular weight of 279.34 g/mol, XLogP of 1.08, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 2-(methylamino)-3-(oxolan-3-yloxy)-2-phenylpropanoate is sourced from PubChem (CID 63557499), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).