4-hydroxy-3-methyl-4-(2-methylquinolin-6-yl)butanoic acid

C15H17NO3 — CID 105379295

IUPAC4-hydroxy-3-methyl-4-(2-methylquinolin-6-yl)butanoic acid
SMILESCc1ccc2cc(C(O)C(C)CC(=O)O)ccc2n1
InChIInChI=1S/C15H17NO3/c1-9(7-14(17)18)15(19)12-5-6-13-11(8-12)4-3-10(2)16-13/h3-6,8-9,15,19H,7H2,1-2H3,(H,17,18)
InChIKeyZCKUUYJWPCOAPV-UHFFFAOYSA-N
MW259.31 g/mol
LogP2.69
Rot. Bonds4

About 4-hydroxy-3-methyl-4-(2-methylquinolin-6-yl)butanoic acid

4-hydroxy-3-methyl-4-(2-methylquinolin-6-yl)butanoic acid (PubChem CID 105379295) has the molecular formula C15H17NO3 and a molecular weight of 259.31 g/mol. Its IUPAC name is 4-hydroxy-3-methyl-4-(2-methylquinolin-6-yl)butanoic acid.

Molecular Properties

Compound Name4-hydroxy-3-methyl-4-(2-methylquinolin-6-yl)butanoic acid
PubChem CID105379295
Molecular FormulaC15H17NO3
Molecular Weight259.31 g/mol
Exact Mass259.12
IUPAC Name4-hydroxy-3-methyl-4-(2-methylquinolin-6-yl)butanoic acid
SMILESCc1ccc2cc(C(O)C(C)CC(=O)O)ccc2n1
InChIInChI=1S/C15H17NO3/c1-9(7-14(17)18)15(19)12-5-6-13-11(8-12)4-3-10(2)16-13/h3-6,8-9,15,19H,7H2,1-2H3,(H,17,18)
InChIKeyZCKUUYJWPCOAPV-UHFFFAOYSA-N
XLogP2.69
TPSA70.42 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500259.31
LogP ≤ 52.69
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

2-methyl-1-(2-methylquinolin-6-yl)butan-1-ol
CID 81215900
2-[hydroxy-(2-methylquinolin-6-yl)methyl]-3-methylbutanoic acid
CID 105379523
ethyl 2-[hydroxy-(2-methylquinolin-6-yl)methyl]butanoate
CID 105379517
(3R)-3-formamido-3-(2-methylquinolin-6-yl)propanoic acid
CID 105378957
1-(2-methylquinolin-6-yl)butane-1,2,4-triol
CID 171873072
1-(2-methylquinolin-6-yl)propan-1-ol
CID 81216711
4-(methylamino)-1-(2-methylquinolin-6-yl)butane-1,2-diol
CID 171890989
3-azido-1-(2-methylquinolin-6-yl)propane-1,2-diol
CID 170826793
3-(dimethylamino)-1-(2-methylquinolin-6-yl)propan-1-ol
CID 113291153
2-(2-methylpropylamino)-2-(2-methylquinolin-6-yl)acetamide
CID 105378874
[2-methyl-1-(2-methylquinolin-6-yl)propyl]hydrazine
CID 105199572
methyl 2-(ethylamino)-2-(2-methylquinolin-6-yl)acetate
CID 105378902

Frequently Asked Questions

What is the IUPAC name of 4-hydroxy-3-methyl-4-(2-methylquinolin-6-yl)butanoic acid?
The IUPAC name of 4-hydroxy-3-methyl-4-(2-methylquinolin-6-yl)butanoic acid (CID 105379295) is 4-hydroxy-3-methyl-4-(2-methylquinolin-6-yl)butanoic acid.
What is the SMILES notation for 4-hydroxy-3-methyl-4-(2-methylquinolin-6-yl)butanoic acid?
The canonical SMILES for 4-hydroxy-3-methyl-4-(2-methylquinolin-6-yl)butanoic acid is Cc1ccc2cc(C(O)C(C)CC(=O)O)ccc2n1.
What is the InChIKey of 4-hydroxy-3-methyl-4-(2-methylquinolin-6-yl)butanoic acid?
The InChIKey is ZCKUUYJWPCOAPV-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H17NO3/c1-9(7-14(17)18)15(19)12-5-6-13-11(8-12)4-3-10(2)16-13/h3-6,8-9,15,19H,7H2,1-2H3,(H,17,18).
What are the key properties of 4-hydroxy-3-methyl-4-(2-methylquinolin-6-yl)butanoic acid?
4-hydroxy-3-methyl-4-(2-methylquinolin-6-yl)butanoic acid has a molecular weight of 259.31 g/mol, XLogP of 2.69, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-hydroxy-3-methyl-4-(2-methylquinolin-6-yl)butanoic acid is sourced from PubChem (CID 105379295), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).