methyl (2R)-2-methoxy-2-methyl-3-phenylpropanoate

C12H16O3 — CID 57421207

IUPACmethyl (2R)-2-methoxy-2-methyl-3-phenylpropanoate
SMILESCOC(=O)[C@@](C)(Cc1ccccc1)OC
InChIInChI=1S/C12H16O3/c1-12(15-3,11(13)14-2)9-10-7-5-4-6-8-10/h4-8H,9H2,1-3H3/t12-/m1/s1
InChIKeyZAQIAFXIECWVFF-GFCCVEGCSA-N
MW208.26 g/mol
LogP1.81
Rot. Bonds4

About methyl (2R)-2-methoxy-2-methyl-3-phenylpropanoate

methyl (2R)-2-methoxy-2-methyl-3-phenylpropanoate (PubChem CID 57421207) has the molecular formula C12H16O3 and a molecular weight of 208.26 g/mol. Its IUPAC name is methyl (2R)-2-methoxy-2-methyl-3-phenylpropanoate.

Molecular Properties

Compound Namemethyl (2R)-2-methoxy-2-methyl-3-phenylpropanoate
PubChem CID57421207
Molecular FormulaC12H16O3
Molecular Weight208.26 g/mol
Exact Mass208.11
IUPAC Namemethyl (2R)-2-methoxy-2-methyl-3-phenylpropanoate
SMILESCOC(=O)[C@@](C)(Cc1ccccc1)OC
InChIInChI=1S/C12H16O3/c1-12(15-3,11(13)14-2)9-10-7-5-4-6-8-10/h4-8H,9H2,1-3H3/t12-/m1/s1
InChIKeyZAQIAFXIECWVFF-GFCCVEGCSA-N
XLogP1.81
TPSA35.53 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500208.26
LogP ≤ 51.81
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

methyl (2R)-2-acetyloxy-2-methyl-3-phenylpropanoate
CID 134892502
methyl (2R)-2-hydroxy-2-methyl-3-phenylpropanoate
CID 101122198
methyl 2-amino-2-benzyl-3-phenylpropanoate
CID 10825855
dimethyl 2-amino-2-benzylpropanedioate
CID 134836854
azane;carbamic acid;methyl 2,2-dimethyl-3-phenylpropanoate
CID 174615049
methyl (2S)-3-amino-2-benzyl-2-methyl-3-oxopropanoate
CID 10933012
methyl 2-cyano-2-methyl-3-phenylpropanoate
CID 11790291
(2S)-2-benzyl-2-methoxycarbonylbutanoic acid
CID 45141431
methyl (2S)-2-benzyl-2-hydroxy-3-oxobutanoate
CID 101479672
2-methyl-2-[(2-methylpropan-2-yl)oxy]-3-phenylpropanoic acid
CID 114992406
2-(2-methoxyethoxy)-2-methyl-3-phenylpropanoic acid
CID 114990567
methyl (2S)-2,3-diamino-2-benzyl-3-oxopropanoate
CID 134588871

Frequently Asked Questions

What is the IUPAC name of methyl (2R)-2-methoxy-2-methyl-3-phenylpropanoate?
The IUPAC name of methyl (2R)-2-methoxy-2-methyl-3-phenylpropanoate (CID 57421207) is methyl (2R)-2-methoxy-2-methyl-3-phenylpropanoate.
What is the SMILES notation for methyl (2R)-2-methoxy-2-methyl-3-phenylpropanoate?
The canonical SMILES for methyl (2R)-2-methoxy-2-methyl-3-phenylpropanoate is COC(=O)[C@@](C)(Cc1ccccc1)OC.
What is the InChIKey of methyl (2R)-2-methoxy-2-methyl-3-phenylpropanoate?
The InChIKey is ZAQIAFXIECWVFF-GFCCVEGCSA-N. The full InChI is InChI=1S/C12H16O3/c1-12(15-3,11(13)14-2)9-10-7-5-4-6-8-10/h4-8H,9H2,1-3H3/t12-/m1/s1.
What are the key properties of methyl (2R)-2-methoxy-2-methyl-3-phenylpropanoate?
methyl (2R)-2-methoxy-2-methyl-3-phenylpropanoate has a molecular weight of 208.26 g/mol, XLogP of 1.81, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for methyl (2R)-2-methoxy-2-methyl-3-phenylpropanoate is sourced from PubChem (CID 57421207), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).