2-methyl-3-(5,6,7,8-tetrahydroquinoxalin-2-yl)propanoic acid

C12H16N2O2 — CID 83837741

IUPAC2-methyl-3-(5,6,7,8-tetrahydroquinoxalin-2-yl)propanoic acid
SMILESCC(Cc1cnc2c(n1)CCCC2)C(=O)O
InChIInChI=1S/C12H16N2O2/c1-8(12(15)16)6-9-7-13-10-4-2-3-5-11(10)14-9/h7-8H,2-6H2,1H3,(H,15,16)
InChIKeyGGYJXVLLWRBOLE-UHFFFAOYSA-N
MW220.27 g/mol
LogP1.62
Rot. Bonds3

About 2-methyl-3-(5,6,7,8-tetrahydroquinoxalin-2-yl)propanoic acid

2-methyl-3-(5,6,7,8-tetrahydroquinoxalin-2-yl)propanoic acid (PubChem CID 83837741) has the molecular formula C12H16N2O2 and a molecular weight of 220.27 g/mol. Its IUPAC name is 2-methyl-3-(5,6,7,8-tetrahydroquinoxalin-2-yl)propanoic acid.

Molecular Properties

Compound Name2-methyl-3-(5,6,7,8-tetrahydroquinoxalin-2-yl)propanoic acid
PubChem CID83837741
Molecular FormulaC12H16N2O2
Molecular Weight220.27 g/mol
Exact Mass220.12
IUPAC Name2-methyl-3-(5,6,7,8-tetrahydroquinoxalin-2-yl)propanoic acid
SMILESCC(Cc1cnc2c(n1)CCCC2)C(=O)O
InChIInChI=1S/C12H16N2O2/c1-8(12(15)16)6-9-7-13-10-4-2-3-5-11(10)14-9/h7-8H,2-6H2,1H3,(H,15,16)
InChIKeyGGYJXVLLWRBOLE-UHFFFAOYSA-N
XLogP1.62
TPSA63.08 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500220.27
LogP ≤ 51.62
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

(2R)-2-methyl-3-quinoxalin-2-ylpropanoic acid
CID 124512095
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CID 82115074
3-(5-methoxypyrazin-2-yl)-2-methylpropanoic acid
CID 83831149
2-(5,6,7,8-tetrahydroquinoxalin-2-yl)acetonitrile
CID 84766467
2-methyl-3-(2-methyl-4,5,6,7-tetrahydroindazol-3-yl)propanoic acid
CID 84687712
3-(cyclohexen-1-yl)-2-methylpropanoic acid
CID 54053706
3-furo[2,3-c]pyridin-5-yl-2-methylpropanoic acid
CID 84778209
3-(5-bromo-4-methyl-2-pyridinyl)-2-methylpropanoic acid
CID 83901573
3-(5,6-dimethyl-2-pyridinyl)-2-methylpropanoic acid
CID 84664754
3-(2-cyclopentyl-1,3-thiazol-4-yl)-2-methylpropanoic acid
CID 116889289
2-amino-3-(5,6,7,8-tetrahydroquinolin-3-yl)propanoic acid
CID 83837749
3-(4-chloro-2-pyridinyl)-2-methylpropanoic acid
CID 115009281

Frequently Asked Questions

What is the IUPAC name of 2-methyl-3-(5,6,7,8-tetrahydroquinoxalin-2-yl)propanoic acid?
The IUPAC name of 2-methyl-3-(5,6,7,8-tetrahydroquinoxalin-2-yl)propanoic acid (CID 83837741) is 2-methyl-3-(5,6,7,8-tetrahydroquinoxalin-2-yl)propanoic acid.
What is the SMILES notation for 2-methyl-3-(5,6,7,8-tetrahydroquinoxalin-2-yl)propanoic acid?
The canonical SMILES for 2-methyl-3-(5,6,7,8-tetrahydroquinoxalin-2-yl)propanoic acid is CC(Cc1cnc2c(n1)CCCC2)C(=O)O.
What is the InChIKey of 2-methyl-3-(5,6,7,8-tetrahydroquinoxalin-2-yl)propanoic acid?
The InChIKey is GGYJXVLLWRBOLE-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H16N2O2/c1-8(12(15)16)6-9-7-13-10-4-2-3-5-11(10)14-9/h7-8H,2-6H2,1H3,(H,15,16).
What are the key properties of 2-methyl-3-(5,6,7,8-tetrahydroquinoxalin-2-yl)propanoic acid?
2-methyl-3-(5,6,7,8-tetrahydroquinoxalin-2-yl)propanoic acid has a molecular weight of 220.27 g/mol, XLogP of 1.62, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-3-(5,6,7,8-tetrahydroquinoxalin-2-yl)propanoic acid is sourced from PubChem (CID 83837741), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).