2-methyl-3-(6-methyl-3,4-dihydro-2H-quinolin-1-yl)propanoic acid

C14H19NO2 — CID 43538734

IUPAC2-methyl-3-(6-methyl-3,4-dihydro-2H-quinolin-1-yl)propanoic acid
SMILESCc1ccc2c(c1)CCCN2CC(C)C(=O)O
InChIInChI=1S/C14H19NO2/c1-10-5-6-13-12(8-10)4-3-7-15(13)9-11(2)14(16)17/h5-6,8,11H,3-4,7,9H2,1-2H3,(H,16,17)
InChIKeyHAQKKQJADQZMDV-UHFFFAOYSA-N
MW233.31 g/mol
LogP2.47
Rot. Bonds3

About 2-methyl-3-(6-methyl-3,4-dihydro-2H-quinolin-1-yl)propanoic acid

2-methyl-3-(6-methyl-3,4-dihydro-2H-quinolin-1-yl)propanoic acid (PubChem CID 43538734) has the molecular formula C14H19NO2 and a molecular weight of 233.31 g/mol. Its IUPAC name is 2-methyl-3-(6-methyl-3,4-dihydro-2H-quinolin-1-yl)propanoic acid.

Molecular Properties

Compound Name2-methyl-3-(6-methyl-3,4-dihydro-2H-quinolin-1-yl)propanoic acid
PubChem CID43538734
Molecular FormulaC14H19NO2
Molecular Weight233.31 g/mol
Exact Mass233.14
IUPAC Name2-methyl-3-(6-methyl-3,4-dihydro-2H-quinolin-1-yl)propanoic acid
SMILESCc1ccc2c(c1)CCCN2CC(C)C(=O)O
InChIInChI=1S/C14H19NO2/c1-10-5-6-13-12(8-10)4-3-7-15(13)9-11(2)14(16)17/h5-6,8,11H,3-4,7,9H2,1-2H3,(H,16,17)
InChIKeyHAQKKQJADQZMDV-UHFFFAOYSA-N
XLogP2.47
TPSA40.54 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500233.31
LogP ≤ 52.47
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Analyze 2-methyl-3-(6-methyl-3,4-dihydro-2H-quinolin-1-yl)propanoic 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

1-amino-3-(6-methyl-3,4-dihydro-2H-quinolin-1-yl)propan-2-ol
CID 24698210
2-[1-[(6-methyl-3,4-dihydro-2H-quinolin-1-yl)methyl]cyclopropyl]acetic acid
CID 65498006
2,2-dimethyl-4-(6-methyl-3,4-dihydro-2H-quinolin-1-yl)butanoic acid
CID 65249302
3-(5-acetyl-2,3-dihydroindol-1-yl)-2-methylpropanoic acid
CID 82316589
3-(6-methyl-3,4-dihydro-2H-quinolin-1-yl)propanamide
CID 60698848
2-(6-methyl-3,4-dihydro-2H-quinolin-1-yl)butanoic acid
CID 43808966
3-methyl-5-(6-methyl-3,4-dihydro-2H-quinolin-1-yl)-5-oxopentanoic acid
CID 62964343
ethane;1-ethyl-6-methyl-3,4-dihydro-2H-quinoline
CID 143643901
N-methyl-1-(6-methyl-3,4-dihydro-2H-quinolin-1-yl)butan-2-amine
CID 62041176
3-amino-2-(6-methyl-3,4-dihydro-2H-quinolin-1-yl)propanoic acid
CID 64692920
1-ethoxy-3-(6-methyl-3,4-dihydro-2H-quinolin-1-yl)propan-2-ol
CID 63934170
N-[2-(6-methyl-3,4-dihydro-2H-quinolin-1-yl)ethyl]propan-2-amine
CID 60841491

Frequently Asked Questions

What is the IUPAC name of 2-methyl-3-(6-methyl-3,4-dihydro-2H-quinolin-1-yl)propanoic acid?
The IUPAC name of 2-methyl-3-(6-methyl-3,4-dihydro-2H-quinolin-1-yl)propanoic acid (CID 43538734) is 2-methyl-3-(6-methyl-3,4-dihydro-2H-quinolin-1-yl)propanoic acid.
What is the SMILES notation for 2-methyl-3-(6-methyl-3,4-dihydro-2H-quinolin-1-yl)propanoic acid?
The canonical SMILES for 2-methyl-3-(6-methyl-3,4-dihydro-2H-quinolin-1-yl)propanoic acid is Cc1ccc2c(c1)CCCN2CC(C)C(=O)O.
What is the InChIKey of 2-methyl-3-(6-methyl-3,4-dihydro-2H-quinolin-1-yl)propanoic acid?
The InChIKey is HAQKKQJADQZMDV-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H19NO2/c1-10-5-6-13-12(8-10)4-3-7-15(13)9-11(2)14(16)17/h5-6,8,11H,3-4,7,9H2,1-2H3,(H,16,17).
What are the key properties of 2-methyl-3-(6-methyl-3,4-dihydro-2H-quinolin-1-yl)propanoic acid?
2-methyl-3-(6-methyl-3,4-dihydro-2H-quinolin-1-yl)propanoic acid has a molecular weight of 233.31 g/mol, XLogP of 2.47, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-3-(6-methyl-3,4-dihydro-2H-quinolin-1-yl)propanoic acid is sourced from PubChem (CID 43538734), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).