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

C15H21NO3 — CID 63531142

IUPAC2-ethoxy-3-(3-methyl-3,4-dihydro-2H-quinolin-1-yl)propanoic acid
SMILESCCOC(CN1CC(C)Cc2ccccc21)C(=O)O
InChIInChI=1S/C15H21NO3/c1-3-19-14(15(17)18)10-16-9-11(2)8-12-6-4-5-7-13(12)16/h4-7,11,14H,3,8-10H2,1-2H3,(H,17,18)
InChIKeyITCSGSSOZWWHIX-UHFFFAOYSA-N
MW263.34 g/mol
LogP2.17
Rot. Bonds5

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

2-ethoxy-3-(3-methyl-3,4-dihydro-2H-quinolin-1-yl)propanoic acid (PubChem CID 63531142) has the molecular formula C15H21NO3 and a molecular weight of 263.34 g/mol. Its IUPAC name is 2-ethoxy-3-(3-methyl-3,4-dihydro-2H-quinolin-1-yl)propanoic acid.

Molecular Properties

Compound Name2-ethoxy-3-(3-methyl-3,4-dihydro-2H-quinolin-1-yl)propanoic acid
PubChem CID63531142
Molecular FormulaC15H21NO3
Molecular Weight263.34 g/mol
Exact Mass263.15
IUPAC Name2-ethoxy-3-(3-methyl-3,4-dihydro-2H-quinolin-1-yl)propanoic acid
SMILESCCOC(CN1CC(C)Cc2ccccc21)C(=O)O
InChIInChI=1S/C15H21NO3/c1-3-19-14(15(17)18)10-16-9-11(2)8-12-6-4-5-7-13(12)16/h4-7,11,14H,3,8-10H2,1-2H3,(H,17,18)
InChIKeyITCSGSSOZWWHIX-UHFFFAOYSA-N
XLogP2.17
TPSA49.77 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500263.34
LogP ≤ 52.17
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-ethoxy-3-(2-methyl-2,3-dihydroindol-1-yl)propanoic acid
CID 63067031
3,3,3-trifluoro-2-[(3-methyl-3,4-dihydro-2H-quinolin-1-yl)methyl]propanoic acid
CID 80996749
1-(3-methyl-3,4-dihydro-2H-quinolin-1-yl)propan-2-ol
CID 63404059
1-(ethylamino)-3-(3-methyl-3,4-dihydro-2H-quinolin-1-yl)propan-2-ol
CID 63466352
ethyl 2-amino-4-(3-methyl-3,4-dihydro-2H-quinolin-1-yl)butanoate
CID 63465644
2-ethoxy-3-(4-methyl-2,3-dihydroquinoxalin-1-yl)propanoic acid
CID 63779171
3,3-dimethyl-1-(3-methyl-3,4-dihydro-2H-quinolin-1-yl)butan-2-ol
CID 55192460
(2R)-1-(3-methyl-3,4-dihydro-2H-quinolin-1-yl)pentan-2-amine
CID 112736704
ethyl (E)-4-(3-methyl-3,4-dihydro-2H-quinolin-1-yl)but-2-enoate
CID 80549810
2-(3-methyl-3,4-dihydro-2H-quinolin-1-yl)-1-(4-methylphenyl)ethanol
CID 63473067
4-(3-methyl-3,4-dihydro-2H-quinolin-1-yl)but-2-enoic acid
CID 76999886
4-(3-methyl-3,4-dihydro-2H-quinolin-1-yl)butan-2-amine
CID 63468992

Frequently Asked Questions

What is the IUPAC name of 2-ethoxy-3-(3-methyl-3,4-dihydro-2H-quinolin-1-yl)propanoic acid?
The IUPAC name of 2-ethoxy-3-(3-methyl-3,4-dihydro-2H-quinolin-1-yl)propanoic acid (CID 63531142) is 2-ethoxy-3-(3-methyl-3,4-dihydro-2H-quinolin-1-yl)propanoic acid.
What is the SMILES notation for 2-ethoxy-3-(3-methyl-3,4-dihydro-2H-quinolin-1-yl)propanoic acid?
The canonical SMILES for 2-ethoxy-3-(3-methyl-3,4-dihydro-2H-quinolin-1-yl)propanoic acid is CCOC(CN1CC(C)Cc2ccccc21)C(=O)O.
What is the InChIKey of 2-ethoxy-3-(3-methyl-3,4-dihydro-2H-quinolin-1-yl)propanoic acid?
The InChIKey is ITCSGSSOZWWHIX-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H21NO3/c1-3-19-14(15(17)18)10-16-9-11(2)8-12-6-4-5-7-13(12)16/h4-7,11,14H,3,8-10H2,1-2H3,(H,17,18).
What are the key properties of 2-ethoxy-3-(3-methyl-3,4-dihydro-2H-quinolin-1-yl)propanoic acid?
2-ethoxy-3-(3-methyl-3,4-dihydro-2H-quinolin-1-yl)propanoic acid has a molecular weight of 263.34 g/mol, XLogP of 2.17, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-ethoxy-3-(3-methyl-3,4-dihydro-2H-quinolin-1-yl)propanoic acid is sourced from PubChem (CID 63531142), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).