4-(3-hydroxy-5-methyl-4-pyridinyl)butanoic acid

C10H13NO3 — CID 67825011

IUPAC4-(3-hydroxy-5-methyl-4-pyridinyl)butanoic acid
SMILESCc1cncc(O)c1CCCC(=O)O
InChIInChI=1S/C10H13NO3/c1-7-5-11-6-9(12)8(7)3-2-4-10(13)14/h5-6,12H,2-4H2,1H3,(H,13,14)
InChIKeyHIJKLDHPNSKCBG-UHFFFAOYSA-N
MW195.22 g/mol
LogP1.50
Rot. Bonds4

About 4-(3-hydroxy-5-methyl-4-pyridinyl)butanoic acid

4-(3-hydroxy-5-methyl-4-pyridinyl)butanoic acid (PubChem CID 67825011) has the molecular formula C10H13NO3 and a molecular weight of 195.22 g/mol. Its IUPAC name is 4-(3-hydroxy-5-methyl-4-pyridinyl)butanoic acid.

Molecular Properties

Compound Name4-(3-hydroxy-5-methyl-4-pyridinyl)butanoic acid
PubChem CID67825011
Molecular FormulaC10H13NO3
Molecular Weight195.22 g/mol
Exact Mass195.09
IUPAC Name4-(3-hydroxy-5-methyl-4-pyridinyl)butanoic acid
SMILESCc1cncc(O)c1CCCC(=O)O
InChIInChI=1S/C10H13NO3/c1-7-5-11-6-9(12)8(7)3-2-4-10(13)14/h5-6,12H,2-4H2,1H3,(H,13,14)
InChIKeyHIJKLDHPNSKCBG-UHFFFAOYSA-N
XLogP1.50
TPSA70.42 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500195.22
LogP ≤ 51.50
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

4-(3,5-dimethyl-4-pyridinyl)butanamide
CID 173252398
4-(4-methylisoquinolin-7-yl)butanoic acid
CID 117330539
4-[6-(3-carboxypropyl)-5-methyl-3-pyridinyl]butanoic acid
CID 70628772
4-(3-hydroxy-4,5-dimethylphenyl)butanoic acid
CID 117297452
3-(3-methyl-4-pyridinyl)propanoic acid
CID 66322322
4-(5-methyl-1H-imidazol-4-yl)butanoic acid
CID 565590
4-(5-bromo-3-pyridinyl)butanoic acid
CID 104813709
4-(2-amino-6-methylphenyl)butanoic acid
CID 83853038
4-(4-tert-butyl-5-hydroxy-2-methylphenyl)butanoic acid
CID 117379432
4-(2-ethoxy-6-hydroxyphenyl)butanoic acid
CID 117321755
hexanoic acid;2-hexylbenzene-1,3-diol
CID 175405171
4-(3-chloro-2-hydroxy-4-methylphenyl)butanoic acid
CID 117329471

Frequently Asked Questions

What is the IUPAC name of 4-(3-hydroxy-5-methyl-4-pyridinyl)butanoic acid?
The IUPAC name of 4-(3-hydroxy-5-methyl-4-pyridinyl)butanoic acid (CID 67825011) is 4-(3-hydroxy-5-methyl-4-pyridinyl)butanoic acid.
What is the SMILES notation for 4-(3-hydroxy-5-methyl-4-pyridinyl)butanoic acid?
The canonical SMILES for 4-(3-hydroxy-5-methyl-4-pyridinyl)butanoic acid is Cc1cncc(O)c1CCCC(=O)O.
What is the InChIKey of 4-(3-hydroxy-5-methyl-4-pyridinyl)butanoic acid?
The InChIKey is HIJKLDHPNSKCBG-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H13NO3/c1-7-5-11-6-9(12)8(7)3-2-4-10(13)14/h5-6,12H,2-4H2,1H3,(H,13,14).
What are the key properties of 4-(3-hydroxy-5-methyl-4-pyridinyl)butanoic acid?
4-(3-hydroxy-5-methyl-4-pyridinyl)butanoic acid has a molecular weight of 195.22 g/mol, XLogP of 1.50, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(3-hydroxy-5-methyl-4-pyridinyl)butanoic acid is sourced from PubChem (CID 67825011), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).