2-(5-methyl-1,2,3,4-tetrahydroquinolin-4-yl)acetic acid

C12H15NO2 — CID 115023982

IUPAC2-(5-methyl-1,2,3,4-tetrahydroquinolin-4-yl)acetic acid
SMILESCc1cccc2c1C(CC(=O)O)CCN2
InChIInChI=1S/C12H15NO2/c1-8-3-2-4-10-12(8)9(5-6-13-10)7-11(14)15/h2-4,9,13H,5-7H2,1H3,(H,14,15)
InChIKeyQQYISKAGANUNSJ-UHFFFAOYSA-N
MW205.26 g/mol
LogP2.37
Rot. Bonds2

About 2-(5-methyl-1,2,3,4-tetrahydroquinolin-4-yl)acetic acid

2-(5-methyl-1,2,3,4-tetrahydroquinolin-4-yl)acetic acid (PubChem CID 115023982) has the molecular formula C12H15NO2 and a molecular weight of 205.26 g/mol. Its IUPAC name is 2-(5-methyl-1,2,3,4-tetrahydroquinolin-4-yl)acetic acid.

Molecular Properties

Compound Name2-(5-methyl-1,2,3,4-tetrahydroquinolin-4-yl)acetic acid
PubChem CID115023982
Molecular FormulaC12H15NO2
Molecular Weight205.26 g/mol
Exact Mass205.11
IUPAC Name2-(5-methyl-1,2,3,4-tetrahydroquinolin-4-yl)acetic acid
SMILESCc1cccc2c1C(CC(=O)O)CCN2
InChIInChI=1S/C12H15NO2/c1-8-3-2-4-10-12(8)9(5-6-13-10)7-11(14)15/h2-4,9,13H,5-7H2,1H3,(H,14,15)
InChIKeyQQYISKAGANUNSJ-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-(7-methyl-1,2,3,4-tetrahydroquinolin-4-yl)acetic acid
CID 82276200
2-(7-methyl-2,3-dihydro-1H-inden-1-yl)acetic acid
CID 82125541
2-methyl-3-(4-methyl-2,3-dihydro-1H-indol-3-yl)propanoic acid
CID 117199572
2-(4-methoxy-2,3-dihydro-1H-indol-3-yl)acetic acid
CID 82276657
4-(1,2,3,4-tetrahydroquinolin-4-yl)butanoic acid
CID 67780838
2-(4,5-dimethyl-9H-fluoren-9-yl)acetic acid
CID 82578908
4-[(2,3-dimethylphenyl)methyl]-1,2,3,4-tetrahydroquinoline
CID 63866886
2-(4-nitro-2,3-dihydro-1H-indol-3-yl)acetic acid
CID 57426192
N-(1,2,3,4-tetrahydroquinolin-4-ylmethyl)acetamide
CID 165439324
2-(1-acetyl-5,8-dimethyl-3,4-dihydro-2H-quinolin-4-yl)acetic acid
CID 82623979
2-(8-methyl-2-oxo-3,4-dihydro-1H-quinolin-4-yl)acetic acid
CID 84623269
8-methyl-3,4-dihydro-2H-1,4-benzoxazine;propanoate
CID 86664801

Frequently Asked Questions

What is the IUPAC name of 2-(5-methyl-1,2,3,4-tetrahydroquinolin-4-yl)acetic acid?
The IUPAC name of 2-(5-methyl-1,2,3,4-tetrahydroquinolin-4-yl)acetic acid (CID 115023982) is 2-(5-methyl-1,2,3,4-tetrahydroquinolin-4-yl)acetic acid.
What is the SMILES notation for 2-(5-methyl-1,2,3,4-tetrahydroquinolin-4-yl)acetic acid?
The canonical SMILES for 2-(5-methyl-1,2,3,4-tetrahydroquinolin-4-yl)acetic acid is Cc1cccc2c1C(CC(=O)O)CCN2.
What is the InChIKey of 2-(5-methyl-1,2,3,4-tetrahydroquinolin-4-yl)acetic acid?
The InChIKey is QQYISKAGANUNSJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H15NO2/c1-8-3-2-4-10-12(8)9(5-6-13-10)7-11(14)15/h2-4,9,13H,5-7H2,1H3,(H,14,15).
What are the key properties of 2-(5-methyl-1,2,3,4-tetrahydroquinolin-4-yl)acetic acid?
2-(5-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-(5-methyl-1,2,3,4-tetrahydroquinolin-4-yl)acetic acid is sourced from PubChem (CID 115023982), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).