2-(7-methyl-1,2,3,4-tetrahydroquinolin-4-yl)acetic acid

C12H15NO2 — CID 82276200

IUPAC2-(7-methyl-1,2,3,4-tetrahydroquinolin-4-yl)acetic acid
SMILESCc1ccc2c(c1)NCCC2CC(=O)O
InChIInChI=1S/C12H15NO2/c1-8-2-3-10-9(7-12(14)15)4-5-13-11(10)6-8/h2-3,6,9,13H,4-5,7H2,1H3,(H,14,15)
InChIKeyNKWMBYRUSZRIQI-UHFFFAOYSA-N
MW205.26 g/mol
LogP2.37
Rot. Bonds2

About 2-(7-methyl-1,2,3,4-tetrahydroquinolin-4-yl)acetic acid

2-(7-methyl-1,2,3,4-tetrahydroquinolin-4-yl)acetic acid (PubChem CID 82276200) has the molecular formula C12H15NO2 and a molecular weight of 205.26 g/mol. Its IUPAC name is 2-(7-methyl-1,2,3,4-tetrahydroquinolin-4-yl)acetic acid.

Molecular Properties

Compound Name2-(7-methyl-1,2,3,4-tetrahydroquinolin-4-yl)acetic acid
PubChem CID82276200
Molecular FormulaC12H15NO2
Molecular Weight205.26 g/mol
Exact Mass205.11
IUPAC Name2-(7-methyl-1,2,3,4-tetrahydroquinolin-4-yl)acetic acid
SMILESCc1ccc2c(c1)NCCC2CC(=O)O
InChIInChI=1S/C12H15NO2/c1-8-2-3-10-9(7-12(14)15)4-5-13-11(10)6-8/h2-3,6,9,13H,4-5,7H2,1H3,(H,14,15)
InChIKeyNKWMBYRUSZRIQI-UHFFFAOYSA-N
XLogP2.37
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 ≤ 52.37
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

2-(5-methyl-1,2,3,4-tetrahydroquinolin-4-yl)acetic acid
CID 115023982
7-methyl-1,2,3,4-tetrahydroquinolin-4-amine
CID 82275529
N-[(7-methyl-1,2,3,4-tetrahydroquinolin-4-yl)methyl]cyclobutanamine
CID 105488638
N,N,7-trimethyl-1,2,3,4-tetrahydroquinolin-4-amine
CID 82275530
2-[(3R)-6-methyl-2,3-dihydro-1-benzofuran-3-yl]acetic acid
CID 98789085
2-(5-methylspiro[1,2-dihydroindene-3,4'-piperidine]-1-yl)acetic acid
CID 58137291
(4S)-4-ethyl-1,2,3,4-tetrahydroquinolin-7-ol
CID 70161946
2-(3,6-dimethyl-1,2,3,4-tetrahydronaphthalen-1-yl)acetic acid
CID 84622892
N-cyclopropyl-7-methyl-1,2,3,4-tetrahydroquinolin-4-amine
CID 105454809
2-(3,7-dimethyl-1,2,3,4-tetrahydronaphthalen-1-yl)acetic acid
CID 84622890
4-(2-methoxyethyl)-6-methyl-1,2,3,4-tetrahydroquinoline
CID 84620577
4-(1,2,3,4-tetrahydroquinolin-4-yl)butanoic acid
CID 67780838

Frequently Asked Questions

What is the IUPAC name of 2-(7-methyl-1,2,3,4-tetrahydroquinolin-4-yl)acetic acid?
The IUPAC name of 2-(7-methyl-1,2,3,4-tetrahydroquinolin-4-yl)acetic acid (CID 82276200) is 2-(7-methyl-1,2,3,4-tetrahydroquinolin-4-yl)acetic acid.
What is the SMILES notation for 2-(7-methyl-1,2,3,4-tetrahydroquinolin-4-yl)acetic acid?
The canonical SMILES for 2-(7-methyl-1,2,3,4-tetrahydroquinolin-4-yl)acetic acid is Cc1ccc2c(c1)NCCC2CC(=O)O.
What is the InChIKey of 2-(7-methyl-1,2,3,4-tetrahydroquinolin-4-yl)acetic acid?
The InChIKey is NKWMBYRUSZRIQI-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H15NO2/c1-8-2-3-10-9(7-12(14)15)4-5-13-11(10)6-8/h2-3,6,9,13H,4-5,7H2,1H3,(H,14,15).
What are the key properties of 2-(7-methyl-1,2,3,4-tetrahydroquinolin-4-yl)acetic acid?
2-(7-methyl-1,2,3,4-tetrahydroquinolin-4-yl)acetic acid has a molecular weight of 205.26 g/mol, XLogP of 2.37, 2 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(7-methyl-1,2,3,4-tetrahydroquinolin-4-yl)acetic acid is sourced from PubChem (CID 82276200), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).