methyl 4-[4-(hydroxymethyl)phenoxy]-2-methyl-2-(methylamino)pentanoate

C15H23NO4 — CID 64708992

IUPACmethyl 4-[4-(hydroxymethyl)phenoxy]-2-methyl-2-(methylamino)pentanoate
SMILESCNC(C)(CC(C)Oc1ccc(CO)cc1)C(=O)OC
InChIInChI=1S/C15H23NO4/c1-11(9-15(2,16-3)14(18)19-4)20-13-7-5-12(10-17)6-8-13/h5-8,11,16-17H,9-10H2,1-4H3
InChIKeyRDTKPSLTECTJNN-UHFFFAOYSA-N
MW281.35 g/mol
LogP1.49
Rot. Bonds7

About methyl 4-[4-(hydroxymethyl)phenoxy]-2-methyl-2-(methylamino)pentanoate

methyl 4-[4-(hydroxymethyl)phenoxy]-2-methyl-2-(methylamino)pentanoate (PubChem CID 64708992) has the molecular formula C15H23NO4 and a molecular weight of 281.35 g/mol. Its IUPAC name is methyl 4-[4-(hydroxymethyl)phenoxy]-2-methyl-2-(methylamino)pentanoate.

Molecular Properties

Compound Namemethyl 4-[4-(hydroxymethyl)phenoxy]-2-methyl-2-(methylamino)pentanoate
PubChem CID64708992
Molecular FormulaC15H23NO4
Molecular Weight281.35 g/mol
Exact Mass281.16
IUPAC Namemethyl 4-[4-(hydroxymethyl)phenoxy]-2-methyl-2-(methylamino)pentanoate
SMILESCNC(C)(CC(C)Oc1ccc(CO)cc1)C(=O)OC
InChIInChI=1S/C15H23NO4/c1-11(9-15(2,16-3)14(18)19-4)20-13-7-5-12(10-17)6-8-13/h5-8,11,16-17H,9-10H2,1-4H3
InChIKeyRDTKPSLTECTJNN-UHFFFAOYSA-N
XLogP1.49
TPSA67.79 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500281.35
LogP ≤ 51.49
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

4-(4-methoxyphenoxy)-2-methyl-2-(methylamino)pentanamide
CID 64705841
methyl 2-(ethylamino)-2-methyl-4-phenoxypentanoate
CID 64706852
methyl 2-methyl-2-(methylamino)-4-(2,3,5-trimethylphenoxy)pentanoate
CID 64707715
2-methyl-2-(methylamino)-4-(4-methylsulfonylphenoxy)pentanoic acid
CID 64719577
(3S)-3-[4-(hydroxymethyl)phenoxy]butanoic acid
CID 103547969
methyl (2R)-2-[4-(hydroxymethyl)phenoxy]propanoate
CID 103337931
methyl 3-(4-ethoxyphenyl)-2-methyl-2-(methylamino)propanoate;yttrium
CID 147443623
methyl 3-[4-(2-hydroxyethyl)phenoxy]-2-methyl-2-(methylamino)propanoate
CID 107709939
ethyl 4-(3-fluorophenoxy)-2-methyl-2-(methylamino)pentanoate
CID 64706858
4-(3-ethylphenoxy)-2-methyl-2-(methylamino)pentanoic acid
CID 64706563
methyl 2-amino-4-(4-ethoxyphenoxy)-2-methylpentanoate
CID 64708683
[4-[(2R)-2-(4-methylphenoxy)propyl]phenyl]methanol
CID 124567142

Frequently Asked Questions

What is the IUPAC name of methyl 4-[4-(hydroxymethyl)phenoxy]-2-methyl-2-(methylamino)pentanoate?
The IUPAC name of methyl 4-[4-(hydroxymethyl)phenoxy]-2-methyl-2-(methylamino)pentanoate (CID 64708992) is methyl 4-[4-(hydroxymethyl)phenoxy]-2-methyl-2-(methylamino)pentanoate.
What is the SMILES notation for methyl 4-[4-(hydroxymethyl)phenoxy]-2-methyl-2-(methylamino)pentanoate?
The canonical SMILES for methyl 4-[4-(hydroxymethyl)phenoxy]-2-methyl-2-(methylamino)pentanoate is CNC(C)(CC(C)Oc1ccc(CO)cc1)C(=O)OC.
What is the InChIKey of methyl 4-[4-(hydroxymethyl)phenoxy]-2-methyl-2-(methylamino)pentanoate?
The InChIKey is RDTKPSLTECTJNN-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H23NO4/c1-11(9-15(2,16-3)14(18)19-4)20-13-7-5-12(10-17)6-8-13/h5-8,11,16-17H,9-10H2,1-4H3.
What are the key properties of methyl 4-[4-(hydroxymethyl)phenoxy]-2-methyl-2-(methylamino)pentanoate?
methyl 4-[4-(hydroxymethyl)phenoxy]-2-methyl-2-(methylamino)pentanoate has a molecular weight of 281.35 g/mol, XLogP of 1.49, 7 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 4-[4-(hydroxymethyl)phenoxy]-2-methyl-2-(methylamino)pentanoate is sourced from PubChem (CID 64708992), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).