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

C12H15NO2 — CID 82582322

IUPAC2-(3-methyl-3,4-dihydro-1H-isoquinolin-2-yl)acetic acid
SMILESCC1Cc2ccccc2CN1CC(=O)O
InChIInChI=1S/C12H15NO2/c1-9-6-10-4-2-3-5-11(10)7-13(9)8-12(14)15/h2-5,9H,6-8H2,1H3,(H,14,15)
InChIKeyIKJWUKZAQIGMMX-UHFFFAOYSA-N
MW205.26 g/mol
LogP1.52
Rot. Bonds2

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

2-(3-methyl-3,4-dihydro-1H-isoquinolin-2-yl)acetic acid (PubChem CID 82582322) has the molecular formula C12H15NO2 and a molecular weight of 205.26 g/mol. Its IUPAC name is 2-(3-methyl-3,4-dihydro-1H-isoquinolin-2-yl)acetic acid.

Molecular Properties

Compound Name2-(3-methyl-3,4-dihydro-1H-isoquinolin-2-yl)acetic acid
PubChem CID82582322
Molecular FormulaC12H15NO2
Molecular Weight205.26 g/mol
Exact Mass205.11
IUPAC Name2-(3-methyl-3,4-dihydro-1H-isoquinolin-2-yl)acetic acid
SMILESCC1Cc2ccccc2CN1CC(=O)O
InChIInChI=1S/C12H15NO2/c1-9-6-10-4-2-3-5-11(10)7-13(9)8-12(14)15/h2-5,9H,6-8H2,1H3,(H,14,15)
InChIKeyIKJWUKZAQIGMMX-UHFFFAOYSA-N
XLogP1.52
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 ≤ 51.52
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Analyze 2-(3-methyl-3,4-dihydro-1H-isoquinolin-2-yl)acetic acid with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

2-(1-methyl-1,3-dihydroisoindol-2-yl)acetic acid
CID 126989453
1-(1,3-dihydroisoindol-2-yl)-2-[(2S)-2-methyl-2,3-dihydroindol-1-yl]ethanone
CID 7764901
(3R)-2-ethyl-3,4-dihydro-1H-isoquinoline-3-carboxylic acid
CID 7446755
tert-butyl N-[3-(3-methyl-3,4-dihydro-1H-isoquinolin-2-yl)propyl]carbamate
CID 110457308
1,2-bis(2-methyl-2,3-dihydroindol-1-yl)ethanone
CID 73142226
2-(4-amino-3-oxo-4,5-dihydro-1H-2-benzazepin-2-yl)acetic acid
CID 22661460
(3S)-2,3-dimethyl-3,4-dihydro-1H-isoquinoline
CID 14548165
2-butyl-3,4-dihydro-1H-isoquinoline-3-carboxylic acid
CID 21224019
2-[(3-phenyl-3,4-dihydro-1H-isoquinolin-2-yl)methyl]prop-2-enoic acid
CID 167964480
2-(2-methyl-4-phenylpyrrolidin-1-yl)acetic acid
CID 119135565
2-(2-methyl-2,3-dihydroindol-1-yl)acetamide
CID 22200023
(3S)-2-formyl-3,4-dihydro-1H-isoquinoline-3-carboxylic acid;(3R)-3-methyl-3,4-dihydro-1H-isoquinoline-2-carbaldehyde
CID 158584261

Frequently Asked Questions

What is the IUPAC name of 2-(3-methyl-3,4-dihydro-1H-isoquinolin-2-yl)acetic acid?
The IUPAC name of 2-(3-methyl-3,4-dihydro-1H-isoquinolin-2-yl)acetic acid (CID 82582322) is 2-(3-methyl-3,4-dihydro-1H-isoquinolin-2-yl)acetic acid.
What is the SMILES notation for 2-(3-methyl-3,4-dihydro-1H-isoquinolin-2-yl)acetic acid?
The canonical SMILES for 2-(3-methyl-3,4-dihydro-1H-isoquinolin-2-yl)acetic acid is CC1Cc2ccccc2CN1CC(=O)O.
What is the InChIKey of 2-(3-methyl-3,4-dihydro-1H-isoquinolin-2-yl)acetic acid?
The InChIKey is IKJWUKZAQIGMMX-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H15NO2/c1-9-6-10-4-2-3-5-11(10)7-13(9)8-12(14)15/h2-5,9H,6-8H2,1H3,(H,14,15).
What are the key properties of 2-(3-methyl-3,4-dihydro-1H-isoquinolin-2-yl)acetic acid?
2-(3-methyl-3,4-dihydro-1H-isoquinolin-2-yl)acetic acid has a molecular weight of 205.26 g/mol, XLogP of 1.52, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3-methyl-3,4-dihydro-1H-isoquinolin-2-yl)acetic acid is sourced from PubChem (CID 82582322), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).