methyl 2-[2-(dimethylamino)-6-methylphenyl]-2-hydroxyacetate

C12H17NO3 — CID 117108701

IUPACmethyl 2-[2-(dimethylamino)-6-methylphenyl]-2-hydroxyacetate
SMILESCOC(=O)C(O)c1c(C)cccc1N(C)C
InChIInChI=1S/C12H17NO3/c1-8-6-5-7-9(13(2)3)10(8)11(14)12(15)16-4/h5-7,11,14H,1-4H3
InChIKeyBOERIPHUCGDCGX-UHFFFAOYSA-N
MW223.27 g/mol
LogP1.27
Rot. Bonds3

About methyl 2-[2-(dimethylamino)-6-methylphenyl]-2-hydroxyacetate

methyl 2-[2-(dimethylamino)-6-methylphenyl]-2-hydroxyacetate (PubChem CID 117108701) has the molecular formula C12H17NO3 and a molecular weight of 223.27 g/mol. Its IUPAC name is methyl 2-[2-(dimethylamino)-6-methylphenyl]-2-hydroxyacetate.

Molecular Properties

Compound Namemethyl 2-[2-(dimethylamino)-6-methylphenyl]-2-hydroxyacetate
PubChem CID117108701
Molecular FormulaC12H17NO3
Molecular Weight223.27 g/mol
Exact Mass223.12
IUPAC Namemethyl 2-[2-(dimethylamino)-6-methylphenyl]-2-hydroxyacetate
SMILESCOC(=O)C(O)c1c(C)cccc1N(C)C
InChIInChI=1S/C12H17NO3/c1-8-6-5-7-9(13(2)3)10(8)11(14)12(15)16-4/h5-7,11,14H,1-4H3
InChIKeyBOERIPHUCGDCGX-UHFFFAOYSA-N
XLogP1.27
TPSA49.77 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500223.27
LogP ≤ 51.27
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

methyl 2-hydroxy-2-(5-methyl-1,3-benzodioxol-4-yl)acetate
CID 117321446
methyl 2-(2-bromo-6-methylsulfanylphenyl)-2-hydroxyacetate
CID 117470273
methyl 2-[2,3-dihydroxy-4-(1-hydroxy-2-methoxy-2-oxoethyl)naphthalen-1-yl]-2-hydroxyacetate
CID 102213492
methyl 2-[3-bromo-4-(dimethylamino)phenyl]-2-hydroxyacetate
CID 117464980
methyl 2-(6-bromo-2,3-dimethylphenyl)-2-hydroxyacetate
CID 117434935
methyl (2S)-2-amino-2-(2-chloro-6-methylphenyl)acetate
CID 130673957
methyl 2-amino-2-(2-chloro-6-methylphenyl)acetate
CID 130059706
methyl (2S)-2-amino-2-(2-chloro-6-methylphenyl)acetate;hydrochloride
CID 171210746
methyl 2-(6-bromo-2-hydroxy-3-methylphenyl)-2-hydroxyacetate
CID 117439457
2-(2-fluoro-6-methylphenyl)-2-hydroxyacetohydrazide
CID 163953467
methyl 2-(2-fluoro-6-methoxyphenyl)-2-hydroxyacetate
CID 117305035
methyl (2S)-2-[[2-(2,6-dimethylphenyl)-2-methoxyacetyl]amino]propanoate
CID 70465858

Frequently Asked Questions

What is the IUPAC name of methyl 2-[2-(dimethylamino)-6-methylphenyl]-2-hydroxyacetate?
The IUPAC name of methyl 2-[2-(dimethylamino)-6-methylphenyl]-2-hydroxyacetate (CID 117108701) is methyl 2-[2-(dimethylamino)-6-methylphenyl]-2-hydroxyacetate.
What is the SMILES notation for methyl 2-[2-(dimethylamino)-6-methylphenyl]-2-hydroxyacetate?
The canonical SMILES for methyl 2-[2-(dimethylamino)-6-methylphenyl]-2-hydroxyacetate is COC(=O)C(O)c1c(C)cccc1N(C)C.
What is the InChIKey of methyl 2-[2-(dimethylamino)-6-methylphenyl]-2-hydroxyacetate?
The InChIKey is BOERIPHUCGDCGX-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H17NO3/c1-8-6-5-7-9(13(2)3)10(8)11(14)12(15)16-4/h5-7,11,14H,1-4H3.
What are the key properties of methyl 2-[2-(dimethylamino)-6-methylphenyl]-2-hydroxyacetate?
methyl 2-[2-(dimethylamino)-6-methylphenyl]-2-hydroxyacetate has a molecular weight of 223.27 g/mol, XLogP of 1.27, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 2-[2-(dimethylamino)-6-methylphenyl]-2-hydroxyacetate is sourced from PubChem (CID 117108701), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).