methyl 3-[[2-hydroxy-2-(3-methoxyphenyl)ethyl]-methylamino]propanoate

C14H21NO4 — CID 78966550

IUPACmethyl 3-[[2-hydroxy-2-(3-methoxyphenyl)ethyl]-methylamino]propanoate
SMILESCOC(=O)CCN(C)CC(O)c1cccc(OC)c1
InChIInChI=1S/C14H21NO4/c1-15(8-7-14(17)19-3)10-13(16)11-5-4-6-12(9-11)18-2/h4-6,9,13,16H,7-8,10H2,1-3H3
InChIKeyMSEXGLHSAIIPCL-UHFFFAOYSA-N
MW267.32 g/mol
LogP1.22
Rot. Bonds7

About methyl 3-[[2-hydroxy-2-(3-methoxyphenyl)ethyl]-methylamino]propanoate

methyl 3-[[2-hydroxy-2-(3-methoxyphenyl)ethyl]-methylamino]propanoate (PubChem CID 78966550) has the molecular formula C14H21NO4 and a molecular weight of 267.32 g/mol. Its IUPAC name is methyl 3-[[2-hydroxy-2-(3-methoxyphenyl)ethyl]-methylamino]propanoate.

Molecular Properties

Compound Namemethyl 3-[[2-hydroxy-2-(3-methoxyphenyl)ethyl]-methylamino]propanoate
PubChem CID78966550
Molecular FormulaC14H21NO4
Molecular Weight267.32 g/mol
Exact Mass267.15
IUPAC Namemethyl 3-[[2-hydroxy-2-(3-methoxyphenyl)ethyl]-methylamino]propanoate
SMILESCOC(=O)CCN(C)CC(O)c1cccc(OC)c1
InChIInChI=1S/C14H21NO4/c1-15(8-7-14(17)19-3)10-13(16)11-5-4-6-12(9-11)18-2/h4-6,9,13,16H,7-8,10H2,1-3H3
InChIKeyMSEXGLHSAIIPCL-UHFFFAOYSA-N
XLogP1.22
TPSA59.00 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500267.32
LogP ≤ 51.22
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze methyl 3-[[2-hydroxy-2-(3-methoxyphenyl)ethyl]-methylamino]propanoate 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 4-hydroxy-4-(3-methoxyphenyl)butanoate
CID 60732490
1-[[2-hydroxy-2-(3-methoxyphenyl)ethyl]-methylamino]-3-methoxypropan-2-ol
CID 79006411
4-[[[2-hydroxy-2-(3-methoxyphenyl)ethyl]-methylamino]methyl]-N-methylbenzamide
CID 111379069
methyl 3-(dimethylamino)-3-(3-methoxyphenyl)propanoate
CID 116910243
3-[cyclopropyl-[2-hydroxy-2-(3-methoxyphenyl)ethyl]amino]propanoic acid
CID 81134486
methyl 3-[[2-(dimethylamino)-2-(3-methoxyphenyl)ethyl]amino]propanoate
CID 43093101
1-[2-[ethylsulfamoyl(methyl)amino]-1-hydroxyethyl]-3-methoxybenzene
CID 110629589
(4R)-4-hydroxy-4-(3-methoxyphenyl)butan-2-one
CID 101411477
methyl N-[2-hydroxy-2-(3-methoxyphenyl)ethyl]carbamate
CID 110663358
methyl 4-(3-methoxyphenyl)-5-oxohexanoate
CID 11770832
methyl 6-[[(2R)-2-(dimethylamino)-2-(3-methoxyphenyl)ethyl]amino]-6-oxohexanoate
CID 99788340
2-[2-aminoethyl(ethyl)amino]-1-(3-methoxyphenyl)ethanol
CID 114231232

Frequently Asked Questions

What is the IUPAC name of methyl 3-[[2-hydroxy-2-(3-methoxyphenyl)ethyl]-methylamino]propanoate?
The IUPAC name of methyl 3-[[2-hydroxy-2-(3-methoxyphenyl)ethyl]-methylamino]propanoate (CID 78966550) is methyl 3-[[2-hydroxy-2-(3-methoxyphenyl)ethyl]-methylamino]propanoate.
What is the SMILES notation for methyl 3-[[2-hydroxy-2-(3-methoxyphenyl)ethyl]-methylamino]propanoate?
The canonical SMILES for methyl 3-[[2-hydroxy-2-(3-methoxyphenyl)ethyl]-methylamino]propanoate is COC(=O)CCN(C)CC(O)c1cccc(OC)c1.
What is the InChIKey of methyl 3-[[2-hydroxy-2-(3-methoxyphenyl)ethyl]-methylamino]propanoate?
The InChIKey is MSEXGLHSAIIPCL-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H21NO4/c1-15(8-7-14(17)19-3)10-13(16)11-5-4-6-12(9-11)18-2/h4-6,9,13,16H,7-8,10H2,1-3H3.
What are the key properties of methyl 3-[[2-hydroxy-2-(3-methoxyphenyl)ethyl]-methylamino]propanoate?
methyl 3-[[2-hydroxy-2-(3-methoxyphenyl)ethyl]-methylamino]propanoate has a molecular weight of 267.32 g/mol, XLogP of 1.22, 7 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-(3-methoxyphenyl)ethyl]-methylamino]propanoate is sourced from PubChem (CID 78966550), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).