methyl 3-[4-(2-hydroxyethyl)phenoxy]-2-methyl-2-(methylamino)propanoate

C14H21NO4 — CID 107709939

IUPACmethyl 3-[4-(2-hydroxyethyl)phenoxy]-2-methyl-2-(methylamino)propanoate
SMILESCNC(C)(COc1ccc(CCO)cc1)C(=O)OC
InChIInChI=1S/C14H21NO4/c1-14(15-2,13(17)18-3)10-19-12-6-4-11(5-7-12)8-9-16/h4-7,15-16H,8-10H2,1-3H3
InChIKeyAKJMQTQFVHFMTI-UHFFFAOYSA-N
MW267.32 g/mol
LogP0.75
Rot. Bonds7

About methyl 3-[4-(2-hydroxyethyl)phenoxy]-2-methyl-2-(methylamino)propanoate

methyl 3-[4-(2-hydroxyethyl)phenoxy]-2-methyl-2-(methylamino)propanoate (PubChem CID 107709939) has the molecular formula C14H21NO4 and a molecular weight of 267.32 g/mol. Its IUPAC name is methyl 3-[4-(2-hydroxyethyl)phenoxy]-2-methyl-2-(methylamino)propanoate.

Molecular Properties

Compound Namemethyl 3-[4-(2-hydroxyethyl)phenoxy]-2-methyl-2-(methylamino)propanoate
PubChem CID107709939
Molecular FormulaC14H21NO4
Molecular Weight267.32 g/mol
Exact Mass267.15
IUPAC Namemethyl 3-[4-(2-hydroxyethyl)phenoxy]-2-methyl-2-(methylamino)propanoate
SMILESCNC(C)(COc1ccc(CCO)cc1)C(=O)OC
InChIInChI=1S/C14H21NO4/c1-14(15-2,13(17)18-3)10-19-12-6-4-11(5-7-12)8-9-16/h4-7,15-16H,8-10H2,1-3H3
InChIKeyAKJMQTQFVHFMTI-UHFFFAOYSA-N
XLogP0.75
TPSA67.79 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500267.32
LogP ≤ 50.75
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

3-[4-(2-hydroxyethyl)phenoxy]-2-methyl-2-(propan-2-ylamino)propanoic acid
CID 107709862
5-[4-(2-hydroxyethyl)phenoxy]-2-methyl-2-(methylamino)pentanamide
CID 107709955
methyl 4-(4-butylphenoxy)-2-methyl-2-(methylamino)butanoate
CID 115493155
methyl 3-(4-ethoxyphenyl)-2-methyl-2-(methylamino)propanoate;yttrium
CID 147443623
methyl 2-amino-6-[4-(2-hydroxyethyl)phenoxy]-2-methylhexanoate
CID 107709921
methyl 2-methyl-2-(methylamino)-3-quinolin-7-yloxypropanoate
CID 107314668
2-(ethylamino)-3-[4-(2-hydroxyethyl)phenoxy]-2-methylpropan-1-ol
CID 107710127
methyl 4-[4-(hydroxymethyl)phenoxy]-2-methyl-2-(methylamino)pentanoate
CID 64708992
2-[4-(methoxymethoxy)phenyl]ethanol
CID 16638841
ethyl 3-(4-butan-2-ylphenoxy)-2-methyl-2-(methylamino)propanoate
CID 107667946
tert-butyl 3-[4-(2-hydroxyethyl)phenoxy]propanoate
CID 46841627
methyl 5-[2-(2-hydroxyethyl)phenoxy]-2-methyl-2-(methylamino)pentanoate
CID 107714016

Frequently Asked Questions

What is the IUPAC name of methyl 3-[4-(2-hydroxyethyl)phenoxy]-2-methyl-2-(methylamino)propanoate?
The IUPAC name of methyl 3-[4-(2-hydroxyethyl)phenoxy]-2-methyl-2-(methylamino)propanoate (CID 107709939) is methyl 3-[4-(2-hydroxyethyl)phenoxy]-2-methyl-2-(methylamino)propanoate.
What is the SMILES notation for methyl 3-[4-(2-hydroxyethyl)phenoxy]-2-methyl-2-(methylamino)propanoate?
The canonical SMILES for methyl 3-[4-(2-hydroxyethyl)phenoxy]-2-methyl-2-(methylamino)propanoate is CNC(C)(COc1ccc(CCO)cc1)C(=O)OC.
What is the InChIKey of methyl 3-[4-(2-hydroxyethyl)phenoxy]-2-methyl-2-(methylamino)propanoate?
The InChIKey is AKJMQTQFVHFMTI-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H21NO4/c1-14(15-2,13(17)18-3)10-19-12-6-4-11(5-7-12)8-9-16/h4-7,15-16H,8-10H2,1-3H3.
What are the key properties of methyl 3-[4-(2-hydroxyethyl)phenoxy]-2-methyl-2-(methylamino)propanoate?
methyl 3-[4-(2-hydroxyethyl)phenoxy]-2-methyl-2-(methylamino)propanoate has a molecular weight of 267.32 g/mol, XLogP of 0.75, 7 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 3-[4-(2-hydroxyethyl)phenoxy]-2-methyl-2-(methylamino)propanoate is sourced from PubChem (CID 107709939), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).