2-hydroxy-4-methylpentanoic acid;2-hydroxy-3-phenylpropanoic acid

C15H22O6 — CID 69118596

IUPAC2-hydroxy-4-methylpentanoic acid;2-hydroxy-3-phenylpropanoic acid
SMILESCC(C)CC(O)C(=O)O.O=C(O)C(O)Cc1ccccc1
InChIInChI=1S/C9H10O3.C6H12O3/c10-8(9(11)12)6-7-4-2-1-3-5-7;1-4(2)3-5(7)6(8)9/h1-5,8,10H,6H2,(H,11,12);4-5,7H,3H2,1-2H3,(H,8,9)
InChIKeyDAIKZVHSXOYWCN-UHFFFAOYSA-N
MW298.34 g/mol
LogP1.15
Rot. Bonds6

About 2-hydroxy-4-methylpentanoic acid;2-hydroxy-3-phenylpropanoic acid

2-hydroxy-4-methylpentanoic acid;2-hydroxy-3-phenylpropanoic acid (PubChem CID 69118596) has the molecular formula C15H22O6 and a molecular weight of 298.34 g/mol. Its IUPAC name is 2-hydroxy-4-methylpentanoic acid;2-hydroxy-3-phenylpropanoic acid.

Molecular Properties

Compound Name2-hydroxy-4-methylpentanoic acid;2-hydroxy-3-phenylpropanoic acid
PubChem CID69118596
Molecular FormulaC15H22O6
Molecular Weight298.34 g/mol
Exact Mass298.14
IUPAC Name2-hydroxy-4-methylpentanoic acid;2-hydroxy-3-phenylpropanoic acid
SMILESCC(C)CC(O)C(=O)O.O=C(O)C(O)Cc1ccccc1
InChIInChI=1S/C9H10O3.C6H12O3/c10-8(9(11)12)6-7-4-2-1-3-5-7;1-4(2)3-5(7)6(8)9/h1-5,8,10H,6H2,(H,11,12);4-5,7H,3H2,1-2H3,(H,8,9)
InChIKeyDAIKZVHSXOYWCN-UHFFFAOYSA-N
XLogP1.15
TPSA115.06 Ų
H-Bond Donors4
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500298.34
LogP ≤ 51.15
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 104

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Related Compounds

(2R)-2-hydroxy-3-phenylpropanoic acid;hydrochloride
CID 67010378
sodium;hydride;2-hydroxy-3-phenylpropanoic acid
CID 173185606
(2R)-3-(4-benzylphenyl)-2-hydroxypropanoic acid
CID 150376143
(2S)-2-hydroxy-3-(4-propan-2-ylphenyl)propanoic acid
CID 39241972
2-benzyl-4-methylpentanoic acid
CID 15416243
2-hydroxy-4-methyl-1-phenylpentan-3-one;2-methylpropanoic acid
CID 174968865
ethane;2-methyl-3-phenylpropanoic acid
CID 90856303
calcium 2-methyl-3-phenylpropanoic acid
CID 51348696
4-hydroxy-2-methyl-5-phenylpentanoic acid
CID 57472998
(2S)-N-benzyl-2-hydroxy-4-methylpentanamide
CID 10822877
2-benzyl-5-(2-methylpropyl)hex-3-enedioic acid
CID 77464052
2-(1,2-diphenylethoxycarbonyl)-4-methylpentanoic acid
CID 70637765

Frequently Asked Questions

What is the IUPAC name of 2-hydroxy-4-methylpentanoic acid;2-hydroxy-3-phenylpropanoic acid?
The IUPAC name of 2-hydroxy-4-methylpentanoic acid;2-hydroxy-3-phenylpropanoic acid (CID 69118596) is 2-hydroxy-4-methylpentanoic acid;2-hydroxy-3-phenylpropanoic acid.
What is the SMILES notation for 2-hydroxy-4-methylpentanoic acid;2-hydroxy-3-phenylpropanoic acid?
The canonical SMILES for 2-hydroxy-4-methylpentanoic acid;2-hydroxy-3-phenylpropanoic acid is CC(C)CC(O)C(=O)O.O=C(O)C(O)Cc1ccccc1.
What is the InChIKey of 2-hydroxy-4-methylpentanoic acid;2-hydroxy-3-phenylpropanoic acid?
The InChIKey is DAIKZVHSXOYWCN-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H10O3.C6H12O3/c10-8(9(11)12)6-7-4-2-1-3-5-7;1-4(2)3-5(7)6(8)9/h1-5,8,10H,6H2,(H,11,12);4-5,7H,3H2,1-2H3,(H,8,9).
What are the key properties of 2-hydroxy-4-methylpentanoic acid;2-hydroxy-3-phenylpropanoic acid?
2-hydroxy-4-methylpentanoic acid;2-hydroxy-3-phenylpropanoic acid has a molecular weight of 298.34 g/mol, XLogP of 1.15, 6 rotatable bonds, 4 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-hydroxy-4-methylpentanoic acid;2-hydroxy-3-phenylpropanoic acid is sourced from PubChem (CID 69118596), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).