4-[3,4-dihydro-2H-quinoline-1-carbonyl(methyl)amino]butanoic acid

C15H20N2O3 — CID 43329794

IUPAC4-[3,4-dihydro-2H-quinoline-1-carbonyl(methyl)amino]butanoic acid
SMILESCN(CCCC(=O)O)C(=O)N1CCCc2ccccc21
InChIInChI=1S/C15H20N2O3/c1-16(10-5-9-14(18)19)15(20)17-11-4-7-12-6-2-3-8-13(12)17/h2-3,6,8H,4-5,7,9-11H2,1H3,(H,18,19)
InChIKeyAIZZDWUBBDYZIN-UHFFFAOYSA-N
MW276.34 g/mol
LogP2.36
Rot. Bonds4

About 4-[3,4-dihydro-2H-quinoline-1-carbonyl(methyl)amino]butanoic acid

4-[3,4-dihydro-2H-quinoline-1-carbonyl(methyl)amino]butanoic acid (PubChem CID 43329794) has the molecular formula C15H20N2O3 and a molecular weight of 276.34 g/mol. Its IUPAC name is 4-[3,4-dihydro-2H-quinoline-1-carbonyl(methyl)amino]butanoic acid.

Molecular Properties

Compound Name4-[3,4-dihydro-2H-quinoline-1-carbonyl(methyl)amino]butanoic acid
PubChem CID43329794
Molecular FormulaC15H20N2O3
Molecular Weight276.34 g/mol
Exact Mass276.15
IUPAC Name4-[3,4-dihydro-2H-quinoline-1-carbonyl(methyl)amino]butanoic acid
SMILESCN(CCCC(=O)O)C(=O)N1CCCc2ccccc21
InChIInChI=1S/C15H20N2O3/c1-16(10-5-9-14(18)19)15(20)17-11-4-7-12-6-2-3-8-13(12)17/h2-3,6,8H,4-5,7,9-11H2,1H3,(H,18,19)
InChIKeyAIZZDWUBBDYZIN-UHFFFAOYSA-N
XLogP2.36
TPSA60.85 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500276.34
LogP ≤ 52.36
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

3-[cyclopropyl(3,4-dihydro-2H-quinoline-1-carbonyl)amino]propanoic acid
CID 61185424
2-[tert-butyl(3,4-dihydro-2H-quinoline-1-carbonyl)amino]acetic acid
CID 79263741
2-(3,4-dihydro-2H-quinolin-1-yl)-N-methyl-2-oxo-N-phenylacetamide
CID 108505624
1,9-bis(3,4-dihydro-2H-quinolin-1-yl)nonane-1,9-dione
CID 5158868
N-benzyl-N-propan-2-yl-3,4-dihydro-2H-quinoline-1-carboxamide
CID 108990709
6-(2,3-dihydroindol-1-yl)-6-oxohexanoic acid
CID 22906002
2-(dimethylamino)ethyl 3,4-dihydro-2H-quinoline-1-carboxylate
CID 165352292
1-(3,4-dihydro-2H-quinolin-1-yl)-2-[methyl-[(1R)-1-phenylethyl]amino]ethanone
CID 68964307
N-butyl-6-(3,4-dihydro-2H-quinoline-1-carbonyl)-N-methylpyridine-2-carboxamide
CID 109099538
1-(3,4-dihydro-2H-quinolin-1-yl)ethanone;ethane
CID 143423489
1-(3,4-dihydro-2H-quinolin-1-yl)-2-[2-(3,4-dihydro-2H-quinolin-1-yl)-2-oxoethoxy]ethanone
CID 2361983
N-butyl-2-(3,4-dihydro-2H-quinolin-1-yl)-N-methylacetamide
CID 109006191

Frequently Asked Questions

What is the IUPAC name of 4-[3,4-dihydro-2H-quinoline-1-carbonyl(methyl)amino]butanoic acid?
The IUPAC name of 4-[3,4-dihydro-2H-quinoline-1-carbonyl(methyl)amino]butanoic acid (CID 43329794) is 4-[3,4-dihydro-2H-quinoline-1-carbonyl(methyl)amino]butanoic acid.
What is the SMILES notation for 4-[3,4-dihydro-2H-quinoline-1-carbonyl(methyl)amino]butanoic acid?
The canonical SMILES for 4-[3,4-dihydro-2H-quinoline-1-carbonyl(methyl)amino]butanoic acid is CN(CCCC(=O)O)C(=O)N1CCCc2ccccc21.
What is the InChIKey of 4-[3,4-dihydro-2H-quinoline-1-carbonyl(methyl)amino]butanoic acid?
The InChIKey is AIZZDWUBBDYZIN-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H20N2O3/c1-16(10-5-9-14(18)19)15(20)17-11-4-7-12-6-2-3-8-13(12)17/h2-3,6,8H,4-5,7,9-11H2,1H3,(H,18,19).
What are the key properties of 4-[3,4-dihydro-2H-quinoline-1-carbonyl(methyl)amino]butanoic acid?
4-[3,4-dihydro-2H-quinoline-1-carbonyl(methyl)amino]butanoic acid has a molecular weight of 276.34 g/mol, XLogP of 2.36, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[3,4-dihydro-2H-quinoline-1-carbonyl(methyl)amino]butanoic acid is sourced from PubChem (CID 43329794), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).