2-(6-methylcinnolin-3-yl)propanoic acid

C12H12N2O2 — CID 83887030

IUPAC2-(6-methylcinnolin-3-yl)propanoic acid
SMILESCc1ccc2nnc(C(C)C(=O)O)cc2c1
InChIInChI=1S/C12H12N2O2/c1-7-3-4-10-9(5-7)6-11(14-13-10)8(2)12(15)16/h3-6,8H,1-2H3,(H,15,16)
InChIKeyGFTRKGQBRHLRFY-UHFFFAOYSA-N
MW216.24 g/mol
LogP2.13
Rot. Bonds2

About 2-(6-methylcinnolin-3-yl)propanoic acid

2-(6-methylcinnolin-3-yl)propanoic acid (PubChem CID 83887030) has the molecular formula C12H12N2O2 and a molecular weight of 216.24 g/mol. Its IUPAC name is 2-(6-methylcinnolin-3-yl)propanoic acid.

Molecular Properties

Compound Name2-(6-methylcinnolin-3-yl)propanoic acid
PubChem CID83887030
Molecular FormulaC12H12N2O2
Molecular Weight216.24 g/mol
Exact Mass216.09
IUPAC Name2-(6-methylcinnolin-3-yl)propanoic acid
SMILESCc1ccc2nnc(C(C)C(=O)O)cc2c1
InChIInChI=1S/C12H12N2O2/c1-7-3-4-10-9(5-7)6-11(14-13-10)8(2)12(15)16/h3-6,8H,1-2H3,(H,15,16)
InChIKeyGFTRKGQBRHLRFY-UHFFFAOYSA-N
XLogP2.13
TPSA63.08 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500216.24
LogP ≤ 52.13
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-amino-2-(6-methylcinnolin-3-yl)ethanol
CID 83881552
2-(1,6-dimethylbenzimidazol-2-yl)propanoic acid
CID 83849281
6-methylcinnolin-3-amine
CID 142584156
2-(4-methyl-2-pyridinyl)propanoic acid tetrafluoroborate
CID 175113550
2,7-dimethylacridine
CID 14490101
2-(2-ethenyl-4-methylphenyl)propanoic acid
CID 54325809
2-(2,6-dimethylindazol-3-yl)propanoic acid
CID 84724269
6-methyl-4-propan-2-ylquinazoline-2-carboxamide;dihydrochloride
CID 89488507
2-(4,5,8-trimethylquinolin-2-yl)propanoic acid
CID 84630832
2-(5-chloro-6-methyl-2-pyridinyl)propanoic acid
CID 83880579
2-methylpropanoic acid;1,4-xylene
CID 142846820
(2R)-2-[2-(3-methylphenyl)-1,3-benzoxazol-6-yl]propanoic acid
CID 125495241

Frequently Asked Questions

What is the IUPAC name of 2-(6-methylcinnolin-3-yl)propanoic acid?
The IUPAC name of 2-(6-methylcinnolin-3-yl)propanoic acid (CID 83887030) is 2-(6-methylcinnolin-3-yl)propanoic acid.
What is the SMILES notation for 2-(6-methylcinnolin-3-yl)propanoic acid?
The canonical SMILES for 2-(6-methylcinnolin-3-yl)propanoic acid is Cc1ccc2nnc(C(C)C(=O)O)cc2c1.
What is the InChIKey of 2-(6-methylcinnolin-3-yl)propanoic acid?
The InChIKey is GFTRKGQBRHLRFY-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H12N2O2/c1-7-3-4-10-9(5-7)6-11(14-13-10)8(2)12(15)16/h3-6,8H,1-2H3,(H,15,16).
What are the key properties of 2-(6-methylcinnolin-3-yl)propanoic acid?
2-(6-methylcinnolin-3-yl)propanoic acid has a molecular weight of 216.24 g/mol, XLogP of 2.13, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(6-methylcinnolin-3-yl)propanoic acid is sourced from PubChem (CID 83887030), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).