3-hydroxy-2-methyl-3-pyridin-4-ylbutanoic acid

C10H13NO3 — CID 62397995

IUPAC3-hydroxy-2-methyl-3-pyridin-4-ylbutanoic acid
SMILESCC(C(=O)O)C(C)(O)c1ccncc1
InChIInChI=1S/C10H13NO3/c1-7(9(12)13)10(2,14)8-3-5-11-6-4-8/h3-7,14H,1-2H3,(H,12,13)
InChIKeyRUZOIUIWIINWEA-UHFFFAOYSA-N
MW195.22 g/mol
LogP1.01
Rot. Bonds3

About 3-hydroxy-2-methyl-3-pyridin-4-ylbutanoic acid

3-hydroxy-2-methyl-3-pyridin-4-ylbutanoic acid (PubChem CID 62397995) has the molecular formula C10H13NO3 and a molecular weight of 195.22 g/mol. Its IUPAC name is 3-hydroxy-2-methyl-3-pyridin-4-ylbutanoic acid.

Molecular Properties

Compound Name3-hydroxy-2-methyl-3-pyridin-4-ylbutanoic acid
PubChem CID62397995
Molecular FormulaC10H13NO3
Molecular Weight195.22 g/mol
Exact Mass195.09
IUPAC Name3-hydroxy-2-methyl-3-pyridin-4-ylbutanoic acid
SMILESCC(C(=O)O)C(C)(O)c1ccncc1
InChIInChI=1S/C10H13NO3/c1-7(9(12)13)10(2,14)8-3-5-11-6-4-8/h3-7,14H,1-2H3,(H,12,13)
InChIKeyRUZOIUIWIINWEA-UHFFFAOYSA-N
XLogP1.01
TPSA70.42 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500195.22
LogP ≤ 51.01
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

3-(4-chlorophenyl)-3-hydroxy-2-methylbutanoic acid
CID 62396227
3-hydroxy-2-methyl-3-(4-methylsulfanylphenyl)butanoic acid
CID 62399021
acetic acid;4-(trifluoromethyl)pyridine;hydrobromide
CID 174739301
2-propan-2-yloxy-2-pyridin-4-ylpropanoic acid
CID 82238702
ethyl 2-(1-hydroxy-1-pyridin-4-ylethyl)pentanoate
CID 83042470
(4R,5R)-5-hydroxy-4-methyl-5-phenylhexan-3-one
CID 13299690
2-amino-2-pyridin-4-ylpropanoic acid;hydrochloride
CID 146014247
2-(2-methylpropylsulfanyl)-2-pyridin-4-ylpropanoic acid
CID 114994631
2-methoxy-2-pyridin-4-ylpropanoic acid
CID 82236563
(1-hydroxy-2-methyl-1-pyridin-4-ylpropyl)-oxosulfanium
CID 174358146
2-(dimethylamino)-2-pyridin-4-ylpropanoic acid
CID 43803131
3-methyl-4-[(2-methyl-2-pyridin-4-ylpropyl)amino]-4-oxobutanoic acid
CID 115164730

Frequently Asked Questions

What is the IUPAC name of 3-hydroxy-2-methyl-3-pyridin-4-ylbutanoic acid?
The IUPAC name of 3-hydroxy-2-methyl-3-pyridin-4-ylbutanoic acid (CID 62397995) is 3-hydroxy-2-methyl-3-pyridin-4-ylbutanoic acid.
What is the SMILES notation for 3-hydroxy-2-methyl-3-pyridin-4-ylbutanoic acid?
The canonical SMILES for 3-hydroxy-2-methyl-3-pyridin-4-ylbutanoic acid is CC(C(=O)O)C(C)(O)c1ccncc1.
What is the InChIKey of 3-hydroxy-2-methyl-3-pyridin-4-ylbutanoic acid?
The InChIKey is RUZOIUIWIINWEA-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H13NO3/c1-7(9(12)13)10(2,14)8-3-5-11-6-4-8/h3-7,14H,1-2H3,(H,12,13).
What are the key properties of 3-hydroxy-2-methyl-3-pyridin-4-ylbutanoic acid?
3-hydroxy-2-methyl-3-pyridin-4-ylbutanoic acid has a molecular weight of 195.22 g/mol, XLogP of 1.01, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-hydroxy-2-methyl-3-pyridin-4-ylbutanoic acid is sourced from PubChem (CID 62397995), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).