2,2-dimethyl-3-(7-methyl-2-oxo-1H-quinolin-3-yl)propanoic acid

C15H17NO3 — CID 84637709

IUPAC2,2-dimethyl-3-(7-methyl-2-oxo-1H-quinolin-3-yl)propanoic acid
SMILESCc1ccc2cc(CC(C)(C)C(=O)O)c(=O)[nH]c2c1
InChIInChI=1S/C15H17NO3/c1-9-4-5-10-7-11(8-15(2,3)14(18)19)13(17)16-12(10)6-9/h4-7H,8H2,1-3H3,(H,16,17)(H,18,19)
InChIKeyBGEGSMRJFYURBI-UHFFFAOYSA-N
MW259.31 g/mol
LogP2.49
Rot. Bonds3

About 2,2-dimethyl-3-(7-methyl-2-oxo-1H-quinolin-3-yl)propanoic acid

2,2-dimethyl-3-(7-methyl-2-oxo-1H-quinolin-3-yl)propanoic acid (PubChem CID 84637709) has the molecular formula C15H17NO3 and a molecular weight of 259.31 g/mol. Its IUPAC name is 2,2-dimethyl-3-(7-methyl-2-oxo-1H-quinolin-3-yl)propanoic acid.

Molecular Properties

Compound Name2,2-dimethyl-3-(7-methyl-2-oxo-1H-quinolin-3-yl)propanoic acid
PubChem CID84637709
Molecular FormulaC15H17NO3
Molecular Weight259.31 g/mol
Exact Mass259.12
IUPAC Name2,2-dimethyl-3-(7-methyl-2-oxo-1H-quinolin-3-yl)propanoic acid
SMILESCc1ccc2cc(CC(C)(C)C(=O)O)c(=O)[nH]c2c1
InChIInChI=1S/C15H17NO3/c1-9-4-5-10-7-11(8-15(2,3)14(18)19)13(17)16-12(10)6-9/h4-7H,8H2,1-3H3,(H,16,17)(H,18,19)
InChIKeyBGEGSMRJFYURBI-UHFFFAOYSA-N
XLogP2.49
TPSA70.16 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500259.31
LogP ≤ 52.49
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 2,2-dimethyl-3-(7-methyl-2-oxo-1H-quinolin-3-yl)propanoic acid?
The IUPAC name of 2,2-dimethyl-3-(7-methyl-2-oxo-1H-quinolin-3-yl)propanoic acid (CID 84637709) is 2,2-dimethyl-3-(7-methyl-2-oxo-1H-quinolin-3-yl)propanoic acid.
What is the SMILES notation for 2,2-dimethyl-3-(7-methyl-2-oxo-1H-quinolin-3-yl)propanoic acid?
The canonical SMILES for 2,2-dimethyl-3-(7-methyl-2-oxo-1H-quinolin-3-yl)propanoic acid is Cc1ccc2cc(CC(C)(C)C(=O)O)c(=O)[nH]c2c1.
What is the InChIKey of 2,2-dimethyl-3-(7-methyl-2-oxo-1H-quinolin-3-yl)propanoic acid?
The InChIKey is BGEGSMRJFYURBI-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H17NO3/c1-9-4-5-10-7-11(8-15(2,3)14(18)19)13(17)16-12(10)6-9/h4-7H,8H2,1-3H3,(H,16,17)(H,18,19).
What are the key properties of 2,2-dimethyl-3-(7-methyl-2-oxo-1H-quinolin-3-yl)propanoic acid?
2,2-dimethyl-3-(7-methyl-2-oxo-1H-quinolin-3-yl)propanoic acid has a molecular weight of 259.31 g/mol, XLogP of 2.49, 3 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2,2-dimethyl-3-(7-methyl-2-oxo-1H-quinolin-3-yl)propanoic acid is sourced from PubChem (CID 84637709), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).