(2R)-3-hydroxy-3-methyl-2-phenylbutanoic acid

C11H14O3 — CID 10559714

IUPAC(2R)-3-hydroxy-3-methyl-2-phenylbutanoic acid
SMILESCC(C)(O)[C@H](C(=O)O)c1ccccc1
InChIInChI=1S/C11H14O3/c1-11(2,14)9(10(12)13)8-6-4-3-5-7-8/h3-7,9,14H,1-2H3,(H,12,13)/t9-/m0/s1
InChIKeyINGFTMNCITUPAE-VIFPVBQESA-N
MW194.23 g/mol
LogP1.63
Rot. Bonds3

About (2R)-3-hydroxy-3-methyl-2-phenylbutanoic acid

(2R)-3-hydroxy-3-methyl-2-phenylbutanoic acid (PubChem CID 10559714) has the molecular formula C11H14O3 and a molecular weight of 194.23 g/mol. Its IUPAC name is (2R)-3-hydroxy-3-methyl-2-phenylbutanoic acid.

Molecular Properties

Compound Name(2R)-3-hydroxy-3-methyl-2-phenylbutanoic acid
PubChem CID10559714
Molecular FormulaC11H14O3
Molecular Weight194.23 g/mol
Exact Mass194.09
IUPAC Name(2R)-3-hydroxy-3-methyl-2-phenylbutanoic acid
SMILESCC(C)(O)[C@H](C(=O)O)c1ccccc1
InChIInChI=1S/C11H14O3/c1-11(2,14)9(10(12)13)8-6-4-3-5-7-8/h3-7,9,14H,1-2H3,(H,12,13)/t9-/m0/s1
InChIKeyINGFTMNCITUPAE-VIFPVBQESA-N
XLogP1.63
TPSA57.53 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500194.23
LogP ≤ 51.63
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

3,3-dichloro-2-phenylbutanoic acid
CID 22472453
3-amino-3-methyl-2-phenylbutanoic acid;hydrochloride
CID 70199608
1-chloro-4-hydroxy-4-methyl-3-phenylpentan-2-one
CID 141465013
3-methyl-3-(methylamino)-2-phenylbutanoic acid;hydrochloride
CID 70203026
2-phenylethane-1,1,1,2-tetracarboxylic acid
CID 69124313
3,3-dimethyl-5-oxo-2-phenylhexanoic acid
CID 54456459
2-hydroxy-2-methyl-4-oxo-3-phenylpentanoic acid
CID 134892401
3-methyl-2,3-diphenylpentanedioic acid
CID 175851061
methyl (2S,3S)-2,3-dihydroxy-2-methyl-3-phenylpropanoate
CID 13435156
5-ethyl-5-hydroxy-4-phenylheptan-3-one
CID 129196616
ethyl (2S)-3,3-dimethyl-2-phenylbutanoate
CID 66805498
2-(4-bromophenyl)-3,3-dimethylbutanoic acid
CID 67987841

Frequently Asked Questions

What is the IUPAC name of (2R)-3-hydroxy-3-methyl-2-phenylbutanoic acid?
The IUPAC name of (2R)-3-hydroxy-3-methyl-2-phenylbutanoic acid (CID 10559714) is (2R)-3-hydroxy-3-methyl-2-phenylbutanoic acid.
What is the SMILES notation for (2R)-3-hydroxy-3-methyl-2-phenylbutanoic acid?
The canonical SMILES for (2R)-3-hydroxy-3-methyl-2-phenylbutanoic acid is CC(C)(O)[C@H](C(=O)O)c1ccccc1.
What is the InChIKey of (2R)-3-hydroxy-3-methyl-2-phenylbutanoic acid?
The InChIKey is INGFTMNCITUPAE-VIFPVBQESA-N. The full InChI is InChI=1S/C11H14O3/c1-11(2,14)9(10(12)13)8-6-4-3-5-7-8/h3-7,9,14H,1-2H3,(H,12,13)/t9-/m0/s1.
What are the key properties of (2R)-3-hydroxy-3-methyl-2-phenylbutanoic acid?
(2R)-3-hydroxy-3-methyl-2-phenylbutanoic acid has a molecular weight of 194.23 g/mol, XLogP of 1.63, 3 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-3-hydroxy-3-methyl-2-phenylbutanoic acid is sourced from PubChem (CID 10559714), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).