benzyl (2R)-3-hydroxy-2-methylpropanoate

C11H14O3 — CID 102381310

IUPACbenzyl (2R)-3-hydroxy-2-methylpropanoate
SMILESC[C@H](CO)C(=O)OCc1ccccc1
InChIInChI=1S/C11H14O3/c1-9(7-12)11(13)14-8-10-5-3-2-4-6-10/h2-6,9,12H,7-8H2,1H3/t9-/m1/s1
InChIKeyWTPLGOQKDYQZHO-SECBINFHSA-N
MW194.23 g/mol
LogP1.36
Rot. Bonds4

About benzyl (2R)-3-hydroxy-2-methylpropanoate

benzyl (2R)-3-hydroxy-2-methylpropanoate (PubChem CID 102381310) has the molecular formula C11H14O3 and a molecular weight of 194.23 g/mol. Its IUPAC name is benzyl (2R)-3-hydroxy-2-methylpropanoate.

Molecular Properties

Compound Namebenzyl (2R)-3-hydroxy-2-methylpropanoate
PubChem CID102381310
Molecular FormulaC11H14O3
Molecular Weight194.23 g/mol
Exact Mass194.09
IUPAC Namebenzyl (2R)-3-hydroxy-2-methylpropanoate
SMILESC[C@H](CO)C(=O)OCc1ccccc1
InChIInChI=1S/C11H14O3/c1-9(7-12)11(13)14-8-10-5-3-2-4-6-10/h2-6,9,12H,7-8H2,1H3/t9-/m1/s1
InChIKeyWTPLGOQKDYQZHO-SECBINFHSA-N
XLogP1.36
TPSA46.53 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500194.23
LogP ≤ 51.36
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

benzyl 3-hydroxy-2-(3-hydroxybutanoylamino)propanoate
CID 143560110
benzyl (2R)-2-(ethylamino)-3-hydroxypropanoate
CID 154332295
benzyl 3-(3-hydroxy-2-methylpropyl)sulfanyl-2-methylpropanoate
CID 106483798
benzyl (2S)-2-aminopropanoate
CID 726858
benzyl (2R)-2-methyl-3-(methylamino)propanoate
CID 131170402
benzyl (2S,4R)-2,4-dimethyl-5-oxohexanoate
CID 160638130
benzyl (2S)-3-cyclopropyl-2-methylpropanoate
CID 126562545
benzyl 3-acetylsulfanyl-2-methylpropanoate
CID 18738482
benzyl (2R)-2-methyl-3-oxobutanoate
CID 101065434
benzyl 2-(18F)fluoro-3-hydroxypropanoate
CID 153425046
benzyl (2S)-2-(methylamino)propanoate;molecular hydrogen
CID 144967680
benzyl 2-methylhex-5-enoate
CID 14713099

Frequently Asked Questions

What is the IUPAC name of benzyl (2R)-3-hydroxy-2-methylpropanoate?
The IUPAC name of benzyl (2R)-3-hydroxy-2-methylpropanoate (CID 102381310) is benzyl (2R)-3-hydroxy-2-methylpropanoate.
What is the SMILES notation for benzyl (2R)-3-hydroxy-2-methylpropanoate?
The canonical SMILES for benzyl (2R)-3-hydroxy-2-methylpropanoate is C[C@H](CO)C(=O)OCc1ccccc1.
What is the InChIKey of benzyl (2R)-3-hydroxy-2-methylpropanoate?
The InChIKey is WTPLGOQKDYQZHO-SECBINFHSA-N. The full InChI is InChI=1S/C11H14O3/c1-9(7-12)11(13)14-8-10-5-3-2-4-6-10/h2-6,9,12H,7-8H2,1H3/t9-/m1/s1.
What are the key properties of benzyl (2R)-3-hydroxy-2-methylpropanoate?
benzyl (2R)-3-hydroxy-2-methylpropanoate has a molecular weight of 194.23 g/mol, XLogP of 1.36, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for benzyl (2R)-3-hydroxy-2-methylpropanoate is sourced from PubChem (CID 102381310), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).