methyl (2R)-2-amino-2-(3-ethyl-2-hydroxyphenyl)acetate

C11H15NO3 — CID 171253853

IUPACmethyl (2R)-2-amino-2-(3-ethyl-2-hydroxyphenyl)acetate
SMILESCCc1cccc([C@@H](N)C(=O)OC)c1O
InChIInChI=1S/C11H15NO3/c1-3-7-5-4-6-8(10(7)13)9(12)11(14)15-2/h4-6,9,13H,3,12H2,1-2H3/t9-/m1/s1
InChIKeyDMAPVBRZBUXCII-SECBINFHSA-N
MW209.24 g/mol
LogP1.13
Rot. Bonds3

About methyl (2R)-2-amino-2-(3-ethyl-2-hydroxyphenyl)acetate

methyl (2R)-2-amino-2-(3-ethyl-2-hydroxyphenyl)acetate (PubChem CID 171253853) has the molecular formula C11H15NO3 and a molecular weight of 209.24 g/mol. Its IUPAC name is methyl (2R)-2-amino-2-(3-ethyl-2-hydroxyphenyl)acetate.

Molecular Properties

Compound Namemethyl (2R)-2-amino-2-(3-ethyl-2-hydroxyphenyl)acetate
PubChem CID171253853
Molecular FormulaC11H15NO3
Molecular Weight209.24 g/mol
Exact Mass209.11
IUPAC Namemethyl (2R)-2-amino-2-(3-ethyl-2-hydroxyphenyl)acetate
SMILESCCc1cccc([C@@H](N)C(=O)OC)c1O
InChIInChI=1S/C11H15NO3/c1-3-7-5-4-6-8(10(7)13)9(12)11(14)15-2/h4-6,9,13H,3,12H2,1-2H3/t9-/m1/s1
InChIKeyDMAPVBRZBUXCII-SECBINFHSA-N
XLogP1.13
TPSA72.55 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500209.24
LogP ≤ 51.13
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'mannich_A(296)', 'substructure': 'N/A'}

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Related Compounds

methyl (2R)-2-amino-2-(2-hydroxy-3-methylphenyl)acetate
CID 130649312
methyl 2-amino-2-(3-bromo-2-hydroxyphenyl)acetate
CID 130059952
methyl (2S)-2-amino-2-[2-hydroxy-3-(trifluoromethoxy)phenyl]acetate;hydrochloride
CID 171258855
2-[(1S)-1-amino-2-hydroxyethyl]-6-ethylphenol
CID 55262993
2-[(1R)-1,2-diaminoethyl]-6-ethylphenol
CID 66516119
2-[(1S)-1-amino-3-hydroxy-2,2-dimethylpropyl]-6-ethylphenol
CID 171253883
2-[(1R)-1,3-diaminopropyl]-6-ethylphenol
CID 171257230
2-[(1R)-1-amino-3-hydroxypropyl]-6-ethylphenol
CID 171257210
methyl (2S)-2-amino-2-naphthalen-1-ylacetate;hydrochloride
CID 171212058
(2S)-2-amino-2-(3-ethyl-2-hydroxyphenyl)acetonitrile
CID 130707253
methyl 2-amino-2-[5-(1-amino-2-oxopropyl)naphthalen-1-yl]acetate
CID 142960386
methyl 2-[(3-ethoxy-2-hydroxyphenyl)methylamino]propanoate
CID 60780617

Frequently Asked Questions

What is the IUPAC name of methyl (2R)-2-amino-2-(3-ethyl-2-hydroxyphenyl)acetate?
The IUPAC name of methyl (2R)-2-amino-2-(3-ethyl-2-hydroxyphenyl)acetate (CID 171253853) is methyl (2R)-2-amino-2-(3-ethyl-2-hydroxyphenyl)acetate.
What is the SMILES notation for methyl (2R)-2-amino-2-(3-ethyl-2-hydroxyphenyl)acetate?
The canonical SMILES for methyl (2R)-2-amino-2-(3-ethyl-2-hydroxyphenyl)acetate is CCc1cccc([C@@H](N)C(=O)OC)c1O.
What is the InChIKey of methyl (2R)-2-amino-2-(3-ethyl-2-hydroxyphenyl)acetate?
The InChIKey is DMAPVBRZBUXCII-SECBINFHSA-N. The full InChI is InChI=1S/C11H15NO3/c1-3-7-5-4-6-8(10(7)13)9(12)11(14)15-2/h4-6,9,13H,3,12H2,1-2H3/t9-/m1/s1.
What are the key properties of methyl (2R)-2-amino-2-(3-ethyl-2-hydroxyphenyl)acetate?
methyl (2R)-2-amino-2-(3-ethyl-2-hydroxyphenyl)acetate has a molecular weight of 209.24 g/mol, XLogP of 1.13, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for methyl (2R)-2-amino-2-(3-ethyl-2-hydroxyphenyl)acetate is sourced from PubChem (CID 171253853), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).