2,3-dihydroxy-2-methyl-4-phenylbutanoic acid

C11H14O4 — CID 77254762

IUPAC2,3-dihydroxy-2-methyl-4-phenylbutanoic acid
SMILESCC(O)(C(=O)O)C(O)Cc1ccccc1
InChIInChI=1S/C11H14O4/c1-11(15,10(13)14)9(12)7-8-5-3-2-4-6-8/h2-6,9,12,15H,7H2,1H3,(H,13,14)
InChIKeyLGRPYSGJOAMTER-UHFFFAOYSA-N
MW210.23 g/mol
LogP0.43
Rot. Bonds4

About 2,3-dihydroxy-2-methyl-4-phenylbutanoic acid

2,3-dihydroxy-2-methyl-4-phenylbutanoic acid (PubChem CID 77254762) has the molecular formula C11H14O4 and a molecular weight of 210.23 g/mol. Its IUPAC name is 2,3-dihydroxy-2-methyl-4-phenylbutanoic acid.

Molecular Properties

Compound Name2,3-dihydroxy-2-methyl-4-phenylbutanoic acid
PubChem CID77254762
Molecular FormulaC11H14O4
Molecular Weight210.23 g/mol
Exact Mass210.09
IUPAC Name2,3-dihydroxy-2-methyl-4-phenylbutanoic acid
SMILESCC(O)(C(=O)O)C(O)Cc1ccccc1
InChIInChI=1S/C11H14O4/c1-11(15,10(13)14)9(12)7-8-5-3-2-4-6-8/h2-6,9,12,15H,7H2,1H3,(H,13,14)
InChIKeyLGRPYSGJOAMTER-UHFFFAOYSA-N
XLogP0.43
TPSA77.76 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500210.23
LogP ≤ 50.43
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Related Compounds

(2S)-3,3-dimethyl-1-phenylbutan-2-ol
CID 12689722
3,3-dimethyl-1-phenylbutan-2-ol
CID 5051506
acetic acid;1,1,1-trichloro-3-phenylpropan-2-ol
CID 174431181
3-methyl-1-phenylhexane-2,3,5-triol
CID 141215630
3,3-diethyl-1-phenylpentan-2-ol
CID 141275578
5-amino-2-hydroxy-2-methyl-6-phenylhexanoic acid
CID 21074196
oxalic acid;1-phenylpropan-2-ol
CID 162336088
2-hydroxy-N,N-dimethyl-3-phenylpropanamide
CID 18771503
2-methyl-3-phenyl-2-sulfanylpropanoic acid
CID 19690137
(2S,3R)-2-benzyl-3-hydroxybutanedioic acid
CID 10944089
2-chloro-4,4-dimethyl-1-phenylpentan-3-one
CID 82184980
3-benzyl-2,2-dimethyl-4-phenylbutanamide
CID 175211278

Frequently Asked Questions

What is the IUPAC name of 2,3-dihydroxy-2-methyl-4-phenylbutanoic acid?
The IUPAC name of 2,3-dihydroxy-2-methyl-4-phenylbutanoic acid (CID 77254762) is 2,3-dihydroxy-2-methyl-4-phenylbutanoic acid.
What is the SMILES notation for 2,3-dihydroxy-2-methyl-4-phenylbutanoic acid?
The canonical SMILES for 2,3-dihydroxy-2-methyl-4-phenylbutanoic acid is CC(O)(C(=O)O)C(O)Cc1ccccc1.
What is the InChIKey of 2,3-dihydroxy-2-methyl-4-phenylbutanoic acid?
The InChIKey is LGRPYSGJOAMTER-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H14O4/c1-11(15,10(13)14)9(12)7-8-5-3-2-4-6-8/h2-6,9,12,15H,7H2,1H3,(H,13,14).
What are the key properties of 2,3-dihydroxy-2-methyl-4-phenylbutanoic acid?
2,3-dihydroxy-2-methyl-4-phenylbutanoic acid has a molecular weight of 210.23 g/mol, XLogP of 0.43, 4 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2,3-dihydroxy-2-methyl-4-phenylbutanoic acid is sourced from PubChem (CID 77254762), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).