2-[hydroxy-(2-methylquinolin-6-yl)methyl]-3-methylbutanoic acid

C16H19NO3 — CID 105379523

IUPAC2-[hydroxy-(2-methylquinolin-6-yl)methyl]-3-methylbutanoic acid
SMILESCc1ccc2cc(C(O)C(C(=O)O)C(C)C)ccc2n1
InChIInChI=1S/C16H19NO3/c1-9(2)14(16(19)20)15(18)12-6-7-13-11(8-12)5-4-10(3)17-13/h4-9,14-15,18H,1-3H3,(H,19,20)
InChIKeyHPKRLUFNMSHKKQ-UHFFFAOYSA-N
MW273.33 g/mol
LogP2.93
Rot. Bonds4

About 2-[hydroxy-(2-methylquinolin-6-yl)methyl]-3-methylbutanoic acid

2-[hydroxy-(2-methylquinolin-6-yl)methyl]-3-methylbutanoic acid (PubChem CID 105379523) has the molecular formula C16H19NO3 and a molecular weight of 273.33 g/mol. Its IUPAC name is 2-[hydroxy-(2-methylquinolin-6-yl)methyl]-3-methylbutanoic acid.

Molecular Properties

Compound Name2-[hydroxy-(2-methylquinolin-6-yl)methyl]-3-methylbutanoic acid
PubChem CID105379523
Molecular FormulaC16H19NO3
Molecular Weight273.33 g/mol
Exact Mass273.14
IUPAC Name2-[hydroxy-(2-methylquinolin-6-yl)methyl]-3-methylbutanoic acid
SMILESCc1ccc2cc(C(O)C(C(=O)O)C(C)C)ccc2n1
InChIInChI=1S/C16H19NO3/c1-9(2)14(16(19)20)15(18)12-6-7-13-11(8-12)5-4-10(3)17-13/h4-9,14-15,18H,1-3H3,(H,19,20)
InChIKeyHPKRLUFNMSHKKQ-UHFFFAOYSA-N
XLogP2.93
TPSA70.42 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500273.33
LogP ≤ 52.93
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

4-hydroxy-3-methyl-4-(2-methylquinolin-6-yl)butanoic acid
CID 105379295
2-[hydroxy(quinolin-6-yl)methyl]-3-methylbutanoic acid
CID 63973005
2-methyl-1-(2-methylquinolin-6-yl)butan-1-ol
CID 81215900
ethyl 2-[hydroxy-(2-methylquinolin-6-yl)methyl]butanoate
CID 105379517
1-(2-methylquinolin-6-yl)butane-1,2,4-triol
CID 171873072
1-(2-methylquinolin-6-yl)propan-1-ol
CID 81216711
2-[(3-fluoro-4-methylphenyl)-hydroxymethyl]-3-methylbutanoic acid
CID 55245574
4-(methylamino)-1-(2-methylquinolin-6-yl)butane-1,2-diol
CID 171890989
[2-methyl-1-(2-methylquinolin-6-yl)propyl]hydrazine
CID 105199572
2-(2-methylquinolin-6-yl)-2-piperazin-1-ylacetic acid
CID 105378911
3-azido-1-(2-methylquinolin-6-yl)propane-1,2-diol
CID 170826793
2-methyl-1-(2-methylquinolin-6-yl)-2-methylsulfonylpropan-1-ol
CID 115826577

Frequently Asked Questions

What is the IUPAC name of 2-[hydroxy-(2-methylquinolin-6-yl)methyl]-3-methylbutanoic acid?
The IUPAC name of 2-[hydroxy-(2-methylquinolin-6-yl)methyl]-3-methylbutanoic acid (CID 105379523) is 2-[hydroxy-(2-methylquinolin-6-yl)methyl]-3-methylbutanoic acid.
What is the SMILES notation for 2-[hydroxy-(2-methylquinolin-6-yl)methyl]-3-methylbutanoic acid?
The canonical SMILES for 2-[hydroxy-(2-methylquinolin-6-yl)methyl]-3-methylbutanoic acid is Cc1ccc2cc(C(O)C(C(=O)O)C(C)C)ccc2n1.
What is the InChIKey of 2-[hydroxy-(2-methylquinolin-6-yl)methyl]-3-methylbutanoic acid?
The InChIKey is HPKRLUFNMSHKKQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H19NO3/c1-9(2)14(16(19)20)15(18)12-6-7-13-11(8-12)5-4-10(3)17-13/h4-9,14-15,18H,1-3H3,(H,19,20).
What are the key properties of 2-[hydroxy-(2-methylquinolin-6-yl)methyl]-3-methylbutanoic acid?
2-[hydroxy-(2-methylquinolin-6-yl)methyl]-3-methylbutanoic acid has a molecular weight of 273.33 g/mol, XLogP of 2.93, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[hydroxy-(2-methylquinolin-6-yl)methyl]-3-methylbutanoic acid is sourced from PubChem (CID 105379523), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).