methyl (2R)-2-hydroxy-4-phenylbutanoate

C11H14O3 — CID 10878023

IUPACmethyl (2R)-2-hydroxy-4-phenylbutanoate
SMILESCOC(=O)[C@H](O)CCc1ccccc1
InChIInChI=1S/C11H14O3/c1-14-11(13)10(12)8-7-9-5-3-2-4-6-9/h2-6,10,12H,7-8H2,1H3/t10-/m1/s1
InChIKeyVBYOZNMHXQWSJY-SNVBAGLBSA-N
MW194.23 g/mol
LogP1.15
Rot. Bonds4

About methyl (2R)-2-hydroxy-4-phenylbutanoate

methyl (2R)-2-hydroxy-4-phenylbutanoate (PubChem CID 10878023) has the molecular formula C11H14O3 and a molecular weight of 194.23 g/mol. Its IUPAC name is methyl (2R)-2-hydroxy-4-phenylbutanoate.

Molecular Properties

Compound Namemethyl (2R)-2-hydroxy-4-phenylbutanoate
PubChem CID10878023
Molecular FormulaC11H14O3
Molecular Weight194.23 g/mol
Exact Mass194.09
IUPAC Namemethyl (2R)-2-hydroxy-4-phenylbutanoate
SMILESCOC(=O)[C@H](O)CCc1ccccc1
InChIInChI=1S/C11H14O3/c1-14-11(13)10(12)8-7-9-5-3-2-4-6-9/h2-6,10,12H,7-8H2,1H3/t10-/m1/s1
InChIKeyVBYOZNMHXQWSJY-SNVBAGLBSA-N
XLogP1.15
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 ≤ 51.15
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

methyl (2S)-2-[[(2R)-2-hydroxy-4-phenylbutanoyl]amino]propanoate
CID 101200785
ethyl (2R)-2-hydroxy-4-phenylbutanoate
CID 2733848
methyl 4-(4-fluorophenyl)-2-hydroxybutanoate
CID 67031210
methyl (2S)-2-amino-4-phenylbutanoate
CID 10867190
N,2-dihydroxy-4-phenylbutanamide
CID 11458241
methyl (2S)-2-(chloroamino)-4-phenylbutanoate
CID 121299211
acetic acid;methyl (2S)-2-amino-4-phenylbutanoate
CID 170899372
methyl 4-methyl-3-oxo-2-(2-phenylethyl)pentanoate
CID 18370896
(3R)-3-methoxycarbonyl-5-phenylpentanoic acid
CID 18652850
methyl 4-oxo-2-(2-phenylethyl)pentanoate
CID 100937736
methyl (3S)-3-hydroxy-5-phenylpentanoate
CID 11745842
methyl (2R)-2-amino-5-phenylpentanoate;hydrochloride
CID 137346959

Frequently Asked Questions

What is the IUPAC name of methyl (2R)-2-hydroxy-4-phenylbutanoate?
The IUPAC name of methyl (2R)-2-hydroxy-4-phenylbutanoate (CID 10878023) is methyl (2R)-2-hydroxy-4-phenylbutanoate.
What is the SMILES notation for methyl (2R)-2-hydroxy-4-phenylbutanoate?
The canonical SMILES for methyl (2R)-2-hydroxy-4-phenylbutanoate is COC(=O)[C@H](O)CCc1ccccc1.
What is the InChIKey of methyl (2R)-2-hydroxy-4-phenylbutanoate?
The InChIKey is VBYOZNMHXQWSJY-SNVBAGLBSA-N. The full InChI is InChI=1S/C11H14O3/c1-14-11(13)10(12)8-7-9-5-3-2-4-6-9/h2-6,10,12H,7-8H2,1H3/t10-/m1/s1.
What are the key properties of methyl (2R)-2-hydroxy-4-phenylbutanoate?
methyl (2R)-2-hydroxy-4-phenylbutanoate has a molecular weight of 194.23 g/mol, XLogP of 1.15, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for methyl (2R)-2-hydroxy-4-phenylbutanoate is sourced from PubChem (CID 10878023), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).