2-(6-methyl-3,4-dihydro-1H-isoquinolin-2-yl)acetic acid

C12H15NO2 — CID 82279778

IUPAC2-(6-methyl-3,4-dihydro-1H-isoquinolin-2-yl)acetic acid
SMILESCc1ccc2c(c1)CCN(CC(=O)O)C2
InChIInChI=1S/C12H15NO2/c1-9-2-3-11-7-13(8-12(14)15)5-4-10(11)6-9/h2-3,6H,4-5,7-8H2,1H3,(H,14,15)
InChIKeyQMGFFKBWBJIVDJ-UHFFFAOYSA-N
MW205.26 g/mol
LogP1.44
Rot. Bonds2

About 2-(6-methyl-3,4-dihydro-1H-isoquinolin-2-yl)acetic acid

2-(6-methyl-3,4-dihydro-1H-isoquinolin-2-yl)acetic acid (PubChem CID 82279778) has the molecular formula C12H15NO2 and a molecular weight of 205.26 g/mol. Its IUPAC name is 2-(6-methyl-3,4-dihydro-1H-isoquinolin-2-yl)acetic acid.

Molecular Properties

Compound Name2-(6-methyl-3,4-dihydro-1H-isoquinolin-2-yl)acetic acid
PubChem CID82279778
Molecular FormulaC12H15NO2
Molecular Weight205.26 g/mol
Exact Mass205.11
IUPAC Name2-(6-methyl-3,4-dihydro-1H-isoquinolin-2-yl)acetic acid
SMILESCc1ccc2c(c1)CCN(CC(=O)O)C2
InChIInChI=1S/C12H15NO2/c1-9-2-3-11-7-13(8-12(14)15)5-4-10(11)6-9/h2-3,6H,4-5,7-8H2,1H3,(H,14,15)
InChIKeyQMGFFKBWBJIVDJ-UHFFFAOYSA-N
XLogP1.44
TPSA40.54 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500205.26
LogP ≤ 51.44
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

2-(6-methoxy-3,4-dihydro-1H-isoquinolin-2-yl)acetic acid
CID 18759834
ethane;2-(7-methyl-3,4-dihydro-1H-isoquinolin-2-yl)acetamide
CID 171523229
2-(6-ethoxy-3,4-dihydro-1H-isoquinolin-2-yl)acetic acid
CID 82279784
6-methyl-2-propyl-3,4-dihydro-1H-isoquinoline
CID 89043863
2-[6-(6-methylpyridazin-3-yl)-3,4-dihydro-1H-isoquinolin-2-yl]acetic acid;dihydrochloride
CID 66877716
6-methyl-2-(2-methylpropyl)-3,4-dihydro-1H-isoquinoline
CID 145125206
N-methyl-2-(6-methyl-3,4-dihydro-1H-isoquinolin-2-yl)ethanamine
CID 142067783
[1-[[2-(7-methyl-3,4-dihydro-1H-isoquinolin-2-yl)acetyl]amino]-2-phenylethyl]boronic acid
CID 142595860
1-(2-chloro-5-methylphenyl)-2-(3,4-dihydro-1H-isoquinolin-2-yl)ethanone
CID 82050185
2-(hydroxyamino)-N-[(2S)-1-(6-methyl-3,4-dihydro-1H-isoquinolin-2-yl)propan-2-yl]acetamide
CID 138652155
2-(7-nitro-3,4-dihydro-1H-isoquinolin-2-yl)acetic acid
CID 142636446
2-(1,3,4,5-tetrahydro-2-benzazepin-2-yl)acetic acid
CID 54461030

Frequently Asked Questions

What is the IUPAC name of 2-(6-methyl-3,4-dihydro-1H-isoquinolin-2-yl)acetic acid?
The IUPAC name of 2-(6-methyl-3,4-dihydro-1H-isoquinolin-2-yl)acetic acid (CID 82279778) is 2-(6-methyl-3,4-dihydro-1H-isoquinolin-2-yl)acetic acid.
What is the SMILES notation for 2-(6-methyl-3,4-dihydro-1H-isoquinolin-2-yl)acetic acid?
The canonical SMILES for 2-(6-methyl-3,4-dihydro-1H-isoquinolin-2-yl)acetic acid is Cc1ccc2c(c1)CCN(CC(=O)O)C2.
What is the InChIKey of 2-(6-methyl-3,4-dihydro-1H-isoquinolin-2-yl)acetic acid?
The InChIKey is QMGFFKBWBJIVDJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H15NO2/c1-9-2-3-11-7-13(8-12(14)15)5-4-10(11)6-9/h2-3,6H,4-5,7-8H2,1H3,(H,14,15).
What are the key properties of 2-(6-methyl-3,4-dihydro-1H-isoquinolin-2-yl)acetic acid?
2-(6-methyl-3,4-dihydro-1H-isoquinolin-2-yl)acetic acid has a molecular weight of 205.26 g/mol, XLogP of 1.44, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(6-methyl-3,4-dihydro-1H-isoquinolin-2-yl)acetic acid is sourced from PubChem (CID 82279778), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).