methyl 2-amino-2-(4-hydroxy-3,5-dimethylphenyl)acetate

C11H15NO3 — CID 60796972

IUPACmethyl 2-amino-2-(4-hydroxy-3,5-dimethylphenyl)acetate
SMILESCOC(=O)C(N)c1cc(C)c(O)c(C)c1
InChIInChI=1S/C11H15NO3/c1-6-4-8(5-7(2)10(6)13)9(12)11(14)15-3/h4-5,9,13H,12H2,1-3H3
InChIKeyVSLJXBAAQCDZDY-UHFFFAOYSA-N
MW209.24 g/mol
LogP1.18
Rot. Bonds2

About methyl 2-amino-2-(4-hydroxy-3,5-dimethylphenyl)acetate

methyl 2-amino-2-(4-hydroxy-3,5-dimethylphenyl)acetate (PubChem CID 60796972) has the molecular formula C11H15NO3 and a molecular weight of 209.24 g/mol. Its IUPAC name is methyl 2-amino-2-(4-hydroxy-3,5-dimethylphenyl)acetate.

Molecular Properties

Compound Namemethyl 2-amino-2-(4-hydroxy-3,5-dimethylphenyl)acetate
PubChem CID60796972
Molecular FormulaC11H15NO3
Molecular Weight209.24 g/mol
Exact Mass209.11
IUPAC Namemethyl 2-amino-2-(4-hydroxy-3,5-dimethylphenyl)acetate
SMILESCOC(=O)C(N)c1cc(C)c(O)c(C)c1
InChIInChI=1S/C11H15NO3/c1-6-4-8(5-7(2)10(6)13)9(12)11(14)15-3/h4-5,9,13H,12H2,1-3H3
InChIKeyVSLJXBAAQCDZDY-UHFFFAOYSA-N
XLogP1.18
TPSA72.55 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500209.24
LogP ≤ 51.18
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

methyl (2R)-2-amino-2-(4-hydroxy-3,5-diiodophenyl)acetate;hydrochloride
CID 171235485
methyl (2S)-2-amino-2-(3,5-dihydroxyphenyl)acetate;hydrochloride
CID 171199915
methyl 2-amino-2-(4-chloro-3-methylphenyl)acetate
CID 130059187
methyl (2R)-2-amino-2-(4-methoxy-3-methylphenyl)acetate;hydrochloride
CID 171233347
dimethyl 2-[2-(4-hydroxy-3,5-dimethylphenyl)but-3-enyl]propanedioate
CID 122208737
methyl 2-(3,4-dihydroxy-5-methylphenyl)-2-hydroxyacetate
CID 117302652
methyl (2R)-2-amino-2-(5-fluoro-2-hydroxy-3-methylphenyl)acetate;hydrochloride
CID 171225007
3-[(1S)-1-amino-2-methoxy-2-oxoethyl]-4-hydroxy-5-methylbenzoic acid
CID 171258237
methyl (2S)-2-amino-2-(3-chloro-4-hydroxy-5-methoxyphenyl)acetate;hydrochloride
CID 171215382
methyl 2-(4-hydroxy-3,5-dimethylphenyl)-2-(2-methoxyethylamino)acetate
CID 62540496
methyl 2-(3-chloro-4-hydroxy-5-methylphenyl)-2-hydroxyacetate
CID 117333182
methyl (2R)-2-amino-2-(2-hydroxy-3-methylphenyl)acetate
CID 130649312

Frequently Asked Questions

What is the IUPAC name of methyl 2-amino-2-(4-hydroxy-3,5-dimethylphenyl)acetate?
The IUPAC name of methyl 2-amino-2-(4-hydroxy-3,5-dimethylphenyl)acetate (CID 60796972) is methyl 2-amino-2-(4-hydroxy-3,5-dimethylphenyl)acetate.
What is the SMILES notation for methyl 2-amino-2-(4-hydroxy-3,5-dimethylphenyl)acetate?
The canonical SMILES for methyl 2-amino-2-(4-hydroxy-3,5-dimethylphenyl)acetate is COC(=O)C(N)c1cc(C)c(O)c(C)c1.
What is the InChIKey of methyl 2-amino-2-(4-hydroxy-3,5-dimethylphenyl)acetate?
The InChIKey is VSLJXBAAQCDZDY-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H15NO3/c1-6-4-8(5-7(2)10(6)13)9(12)11(14)15-3/h4-5,9,13H,12H2,1-3H3.
What are the key properties of methyl 2-amino-2-(4-hydroxy-3,5-dimethylphenyl)acetate?
methyl 2-amino-2-(4-hydroxy-3,5-dimethylphenyl)acetate has a molecular weight of 209.24 g/mol, XLogP of 1.18, 2 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 2-amino-2-(4-hydroxy-3,5-dimethylphenyl)acetate is sourced from PubChem (CID 60796972), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).