2-(methylamino)-4-(2-methyl-3,4-dihydro-2H-quinolin-1-yl)butanoic acid

C15H22N2O2 — CID 63028897

IUPAC2-(methylamino)-4-(2-methyl-3,4-dihydro-2H-quinolin-1-yl)butanoic acid
SMILESCNC(CCN1c2ccccc2CCC1C)C(=O)O
InChIInChI=1S/C15H22N2O2/c1-11-7-8-12-5-3-4-6-14(12)17(11)10-9-13(16-2)15(18)19/h3-6,11,13,16H,7-10H2,1-2H3,(H,18,19)
InChIKeyYFWLPIBJKOVYHT-UHFFFAOYSA-N
MW262.35 g/mol
LogP1.89
Rot. Bonds5

About 2-(methylamino)-4-(2-methyl-3,4-dihydro-2H-quinolin-1-yl)butanoic acid

2-(methylamino)-4-(2-methyl-3,4-dihydro-2H-quinolin-1-yl)butanoic acid (PubChem CID 63028897) has the molecular formula C15H22N2O2 and a molecular weight of 262.35 g/mol. Its IUPAC name is 2-(methylamino)-4-(2-methyl-3,4-dihydro-2H-quinolin-1-yl)butanoic acid.

Molecular Properties

Compound Name2-(methylamino)-4-(2-methyl-3,4-dihydro-2H-quinolin-1-yl)butanoic acid
PubChem CID63028897
Molecular FormulaC15H22N2O2
Molecular Weight262.35 g/mol
Exact Mass262.17
IUPAC Name2-(methylamino)-4-(2-methyl-3,4-dihydro-2H-quinolin-1-yl)butanoic acid
SMILESCNC(CCN1c2ccccc2CCC1C)C(=O)O
InChIInChI=1S/C15H22N2O2/c1-11-7-8-12-5-3-4-6-14(12)17(11)10-9-13(16-2)15(18)19/h3-6,11,13,16H,7-10H2,1-2H3,(H,18,19)
InChIKeyYFWLPIBJKOVYHT-UHFFFAOYSA-N
XLogP1.89
TPSA52.57 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500262.35
LogP ≤ 51.89
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

4-(1,3-dihydroisoindol-2-yl)-2-(methylamino)butanoic acid
CID 63055046
4-(2-methyl-3,4-dihydro-2H-quinolin-1-yl)-2-(propan-2-ylamino)butanenitrile
CID 63028861
3-methyl-1-(2-methyl-3,4-dihydro-2H-quinolin-1-yl)butan-2-one
CID 79395357
methyl 2-(2-methyl-3,4-dihydro-2H-quinolin-1-yl)acetate
CID 43089229
6-(2-methyl-3,4-dihydro-2H-quinolin-1-yl)hexan-3-one
CID 106801125
1-cyclopropyl-N-methyl-2-(2-methyl-3,4-dihydro-2H-quinolin-1-yl)ethanamine
CID 63913854
2-methyl-1-(2-phenylsulfanylethyl)-3,4-dihydro-2H-quinoline
CID 79319370
1-cyclohexyl-N-methyl-2-(2-methyl-3,4-dihydro-2H-quinolin-1-yl)ethanamine
CID 104744540
1-[(3S)-3-aminopyrrolidin-1-yl]-3-[(2S)-2-methyl-3,4-dihydro-2H-quinolin-1-yl]propan-1-one
CID 124693456
1-[4-(1-hydroxyethyl)piperidin-1-yl]-3-(2-methyl-3,4-dihydro-2H-quinolin-1-yl)propan-1-one
CID 111539101
1-(3-azidopropyl)-2-methyl-3,4-dihydro-2H-quinoline
CID 61396775
3-(2-methyl-3,4-dihydro-2H-quinolin-1-yl)-N-([1,2,4]triazolo[4,3-a]pyridin-3-ylmethyl)propanamide
CID 71998225

Frequently Asked Questions

What is the IUPAC name of 2-(methylamino)-4-(2-methyl-3,4-dihydro-2H-quinolin-1-yl)butanoic acid?
The IUPAC name of 2-(methylamino)-4-(2-methyl-3,4-dihydro-2H-quinolin-1-yl)butanoic acid (CID 63028897) is 2-(methylamino)-4-(2-methyl-3,4-dihydro-2H-quinolin-1-yl)butanoic acid.
What is the SMILES notation for 2-(methylamino)-4-(2-methyl-3,4-dihydro-2H-quinolin-1-yl)butanoic acid?
The canonical SMILES for 2-(methylamino)-4-(2-methyl-3,4-dihydro-2H-quinolin-1-yl)butanoic acid is CNC(CCN1c2ccccc2CCC1C)C(=O)O.
What is the InChIKey of 2-(methylamino)-4-(2-methyl-3,4-dihydro-2H-quinolin-1-yl)butanoic acid?
The InChIKey is YFWLPIBJKOVYHT-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H22N2O2/c1-11-7-8-12-5-3-4-6-14(12)17(11)10-9-13(16-2)15(18)19/h3-6,11,13,16H,7-10H2,1-2H3,(H,18,19).
What are the key properties of 2-(methylamino)-4-(2-methyl-3,4-dihydro-2H-quinolin-1-yl)butanoic acid?
2-(methylamino)-4-(2-methyl-3,4-dihydro-2H-quinolin-1-yl)butanoic acid has a molecular weight of 262.35 g/mol, XLogP of 1.89, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(methylamino)-4-(2-methyl-3,4-dihydro-2H-quinolin-1-yl)butanoic acid is sourced from PubChem (CID 63028897), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).