2-(1,2,3,4-tetrahydroisoquinolin-6-yl)propanoic acid

C12H15NO2 — CID 135337281

IUPAC2-(1,2,3,4-tetrahydroisoquinolin-6-yl)propanoic acid
SMILESCC(C(=O)O)c1ccc2c(c1)CCNC2
InChIInChI=1S/C12H15NO2/c1-8(12(14)15)9-2-3-11-7-13-5-4-10(11)6-9/h2-3,6,8,13H,4-5,7H2,1H3,(H,14,15)
InChIKeyXYEVBGOJNJHSJQ-UHFFFAOYSA-N
MW205.26 g/mol
LogP1.52
Rot. Bonds2

About 2-(1,2,3,4-tetrahydroisoquinolin-6-yl)propanoic acid

2-(1,2,3,4-tetrahydroisoquinolin-6-yl)propanoic acid (PubChem CID 135337281) has the molecular formula C12H15NO2 and a molecular weight of 205.26 g/mol. Its IUPAC name is 2-(1,2,3,4-tetrahydroisoquinolin-6-yl)propanoic acid.

Molecular Properties

Compound Name2-(1,2,3,4-tetrahydroisoquinolin-6-yl)propanoic acid
PubChem CID135337281
Molecular FormulaC12H15NO2
Molecular Weight205.26 g/mol
Exact Mass205.11
IUPAC Name2-(1,2,3,4-tetrahydroisoquinolin-6-yl)propanoic acid
SMILESCC(C(=O)O)c1ccc2c(c1)CCNC2
InChIInChI=1S/C12H15NO2/c1-8(12(14)15)9-2-3-11-7-13-5-4-10(11)6-9/h2-3,6,8,13H,4-5,7H2,1H3,(H,14,15)
InChIKeyXYEVBGOJNJHSJQ-UHFFFAOYSA-N
XLogP1.52
TPSA49.33 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500205.26
LogP ≤ 51.52
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

propan-2-yl 1,2,3,4-tetrahydroisoquinoline-6-carboxylate;hydrochloride
CID 133062529
3-methyl-2-(1,2,3,4-tetrahydroisoquinoline-6-carbonylamino)butanoic acid
CID 110489057
oxalic acid;1,2,3,4-tetrahydroisoquinolin-6-ol
CID 18515811
2-[4-(1-carboxyethyl)phenyl]propanoic acid
CID 601009
1-propan-2-yl-3-(1,2,3,4-tetrahydroisoquinolin-6-yl)urea
CID 66935877
(2R)-2-(2-oxo-1,3-dihydroindol-5-yl)propanoic acid
CID 95438819
(2S)-2-(2-oxo-1,3-dihydroindol-5-yl)propanoic acid
CID 95438818
1-(1,2,3,4-tetrahydroisoquinolin-7-yl)prop-2-yn-1-ol
CID 91091154
oxan-4-yl-[4-[1-(1,2,3,4-tetrahydroisoquinolin-6-yl)ethyl]piperazin-1-yl]methanone
CID 118017297
2-[1-(1,2,3,4-tetrahydroisoquinoline-7-carbonyl)azetidin-3-yl]propanoic acid
CID 116682378
bis((2S)-2-(6-methoxynaphthalen-2-yl)propanoic acid);piperazine
CID 76968825
3-methyl-2-(5,6,7,8-tetrahydronaphthalen-2-yl)butanoic acid
CID 20556031

Frequently Asked Questions

What is the IUPAC name of 2-(1,2,3,4-tetrahydroisoquinolin-6-yl)propanoic acid?
The IUPAC name of 2-(1,2,3,4-tetrahydroisoquinolin-6-yl)propanoic acid (CID 135337281) is 2-(1,2,3,4-tetrahydroisoquinolin-6-yl)propanoic acid.
What is the SMILES notation for 2-(1,2,3,4-tetrahydroisoquinolin-6-yl)propanoic acid?
The canonical SMILES for 2-(1,2,3,4-tetrahydroisoquinolin-6-yl)propanoic acid is CC(C(=O)O)c1ccc2c(c1)CCNC2.
What is the InChIKey of 2-(1,2,3,4-tetrahydroisoquinolin-6-yl)propanoic acid?
The InChIKey is XYEVBGOJNJHSJQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H15NO2/c1-8(12(14)15)9-2-3-11-7-13-5-4-10(11)6-9/h2-3,6,8,13H,4-5,7H2,1H3,(H,14,15).
What are the key properties of 2-(1,2,3,4-tetrahydroisoquinolin-6-yl)propanoic acid?
2-(1,2,3,4-tetrahydroisoquinolin-6-yl)propanoic acid has a molecular weight of 205.26 g/mol, XLogP of 1.52, 2 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(1,2,3,4-tetrahydroisoquinolin-6-yl)propanoic acid is sourced from PubChem (CID 135337281), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).