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

C11H14O3 — CID 101122198

IUPACmethyl (2R)-2-hydroxy-2-methyl-3-phenylpropanoate
SMILESCOC(=O)[C@](C)(O)Cc1ccccc1
InChIInChI=1S/C11H14O3/c1-11(13,10(12)14-2)8-9-6-4-3-5-7-9/h3-7,13H,8H2,1-2H3/t11-/m1/s1
InChIKeyJBJLTADGJZLJSZ-LLVKDONJSA-N
MW194.23 g/mol
LogP1.15
Rot. Bonds3

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

methyl (2R)-2-hydroxy-2-methyl-3-phenylpropanoate (PubChem CID 101122198) has the molecular formula C11H14O3 and a molecular weight of 194.23 g/mol. Its IUPAC name is methyl (2R)-2-hydroxy-2-methyl-3-phenylpropanoate.

Molecular Properties

Compound Namemethyl (2R)-2-hydroxy-2-methyl-3-phenylpropanoate
PubChem CID101122198
Molecular FormulaC11H14O3
Molecular Weight194.23 g/mol
Exact Mass194.09
IUPAC Namemethyl (2R)-2-hydroxy-2-methyl-3-phenylpropanoate
SMILESCOC(=O)[C@](C)(O)Cc1ccccc1
InChIInChI=1S/C11H14O3/c1-11(13,10(12)14-2)8-9-6-4-3-5-7-9/h3-7,13H,8H2,1-2H3/t11-/m1/s1
InChIKeyJBJLTADGJZLJSZ-LLVKDONJSA-N
XLogP1.15
TPSA46.53 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500194.23
LogP ≤ 51.15
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

methyl (2R)-2-methoxy-2-methyl-3-phenylpropanoate
CID 57421207
(2S)-2-benzyl-2-methoxycarbonylbutanoic acid
CID 45141431
methyl (2S)-2-benzyl-2-hydroxy-3-oxobutanoate
CID 101479672
dimethyl 2-amino-2-benzylpropanedioate
CID 134836854
methyl 2-amino-2-benzyl-3-phenylpropanoate
CID 10825855
methyl (2S)-3-amino-2-benzyl-2-methyl-3-oxopropanoate
CID 10933012
azane;carbamic acid;methyl 2,2-dimethyl-3-phenylpropanoate
CID 174615049
methyl 2-benzyl-3-bromo-2-hydroxypropanoate
CID 77389738
(2R)-2-hydroxy-2-methyl-3-phenylpropanamide
CID 11389739
methyl 2-cyano-2-methyl-3-phenylpropanoate
CID 11790291
methyl (2R)-2-acetyloxy-2-methyl-3-phenylpropanoate
CID 134892502
methyl 2-benzyl-4-fluoro-3,3-bis(fluoromethyl)-2-hydroxybutanoate
CID 68941848

Frequently Asked Questions

What is the IUPAC name of methyl (2R)-2-hydroxy-2-methyl-3-phenylpropanoate?
The IUPAC name of methyl (2R)-2-hydroxy-2-methyl-3-phenylpropanoate (CID 101122198) is methyl (2R)-2-hydroxy-2-methyl-3-phenylpropanoate.
What is the SMILES notation for methyl (2R)-2-hydroxy-2-methyl-3-phenylpropanoate?
The canonical SMILES for methyl (2R)-2-hydroxy-2-methyl-3-phenylpropanoate is COC(=O)[C@](C)(O)Cc1ccccc1.
What is the InChIKey of methyl (2R)-2-hydroxy-2-methyl-3-phenylpropanoate?
The InChIKey is JBJLTADGJZLJSZ-LLVKDONJSA-N. The full InChI is InChI=1S/C11H14O3/c1-11(13,10(12)14-2)8-9-6-4-3-5-7-9/h3-7,13H,8H2,1-2H3/t11-/m1/s1.
What are the key properties of methyl (2R)-2-hydroxy-2-methyl-3-phenylpropanoate?
methyl (2R)-2-hydroxy-2-methyl-3-phenylpropanoate has a molecular weight of 194.23 g/mol, XLogP of 1.15, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for methyl (2R)-2-hydroxy-2-methyl-3-phenylpropanoate is sourced from PubChem (CID 101122198), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).