3-[methyl(5,6,7,8-tetrahydroquinolin-2-yl)amino]propanoic acid

C13H18N2O2 — CID 83841565

IUPAC3-[methyl(5,6,7,8-tetrahydroquinolin-2-yl)amino]propanoic acid
SMILESCN(CCC(=O)O)c1ccc2c(n1)CCCC2
InChIInChI=1S/C13H18N2O2/c1-15(9-8-13(16)17)12-7-6-10-4-2-3-5-11(10)14-12/h6-7H,2-5,8-9H2,1H3,(H,16,17)
InChIKeyUOSOUMSVXVOBFS-UHFFFAOYSA-N
MW234.30 g/mol
LogP1.87
Rot. Bonds4

About 3-[methyl(5,6,7,8-tetrahydroquinolin-2-yl)amino]propanoic acid

3-[methyl(5,6,7,8-tetrahydroquinolin-2-yl)amino]propanoic acid (PubChem CID 83841565) has the molecular formula C13H18N2O2 and a molecular weight of 234.30 g/mol. Its IUPAC name is 3-[methyl(5,6,7,8-tetrahydroquinolin-2-yl)amino]propanoic acid.

Molecular Properties

Compound Name3-[methyl(5,6,7,8-tetrahydroquinolin-2-yl)amino]propanoic acid
PubChem CID83841565
Molecular FormulaC13H18N2O2
Molecular Weight234.30 g/mol
Exact Mass234.14
IUPAC Name3-[methyl(5,6,7,8-tetrahydroquinolin-2-yl)amino]propanoic acid
SMILESCN(CCC(=O)O)c1ccc2c(n1)CCCC2
InChIInChI=1S/C13H18N2O2/c1-15(9-8-13(16)17)12-7-6-10-4-2-3-5-11(10)14-12/h6-7H,2-5,8-9H2,1H3,(H,16,17)
InChIKeyUOSOUMSVXVOBFS-UHFFFAOYSA-N
XLogP1.87
TPSA53.43 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500234.30
LogP ≤ 51.87
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 3-[methyl(5,6,7,8-tetrahydroquinolin-2-yl)amino]propanoic acid?
The IUPAC name of 3-[methyl(5,6,7,8-tetrahydroquinolin-2-yl)amino]propanoic acid (CID 83841565) is 3-[methyl(5,6,7,8-tetrahydroquinolin-2-yl)amino]propanoic acid.
What is the SMILES notation for 3-[methyl(5,6,7,8-tetrahydroquinolin-2-yl)amino]propanoic acid?
The canonical SMILES for 3-[methyl(5,6,7,8-tetrahydroquinolin-2-yl)amino]propanoic acid is CN(CCC(=O)O)c1ccc2c(n1)CCCC2.
What is the InChIKey of 3-[methyl(5,6,7,8-tetrahydroquinolin-2-yl)amino]propanoic acid?
The InChIKey is UOSOUMSVXVOBFS-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H18N2O2/c1-15(9-8-13(16)17)12-7-6-10-4-2-3-5-11(10)14-12/h6-7H,2-5,8-9H2,1H3,(H,16,17).
What are the key properties of 3-[methyl(5,6,7,8-tetrahydroquinolin-2-yl)amino]propanoic acid?
3-[methyl(5,6,7,8-tetrahydroquinolin-2-yl)amino]propanoic acid has a molecular weight of 234.30 g/mol, XLogP of 1.87, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[methyl(5,6,7,8-tetrahydroquinolin-2-yl)amino]propanoic acid is sourced from PubChem (CID 83841565), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).