2-(3,4-dihydro-2H-quinoline-1-carbonylamino)butanoic acid

C14H18N2O3 — CID 61185072

IUPAC2-(3,4-dihydro-2H-quinoline-1-carbonylamino)butanoic acid
SMILESCCC(NC(=O)N1CCCc2ccccc21)C(=O)O
InChIInChI=1S/C14H18N2O3/c1-2-11(13(17)18)15-14(19)16-9-5-7-10-6-3-4-8-12(10)16/h3-4,6,8,11H,2,5,7,9H2,1H3,(H,15,19)(H,17,18)
InChIKeyQXVLRHCHLYIWRG-UHFFFAOYSA-N
MW262.31 g/mol
LogP2.01
Rot. Bonds3

About 2-(3,4-dihydro-2H-quinoline-1-carbonylamino)butanoic acid

2-(3,4-dihydro-2H-quinoline-1-carbonylamino)butanoic acid (PubChem CID 61185072) has the molecular formula C14H18N2O3 and a molecular weight of 262.31 g/mol. Its IUPAC name is 2-(3,4-dihydro-2H-quinoline-1-carbonylamino)butanoic acid.

Molecular Properties

Compound Name2-(3,4-dihydro-2H-quinoline-1-carbonylamino)butanoic acid
PubChem CID61185072
Molecular FormulaC14H18N2O3
Molecular Weight262.31 g/mol
Exact Mass262.13
IUPAC Name2-(3,4-dihydro-2H-quinoline-1-carbonylamino)butanoic acid
SMILESCCC(NC(=O)N1CCCc2ccccc21)C(=O)O
InChIInChI=1S/C14H18N2O3/c1-2-11(13(17)18)15-14(19)16-9-5-7-10-6-3-4-8-12(10)16/h3-4,6,8,11H,2,5,7,9H2,1H3,(H,15,19)(H,17,18)
InChIKeyQXVLRHCHLYIWRG-UHFFFAOYSA-N
XLogP2.01
TPSA69.64 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500262.31
LogP ≤ 52.01
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

4-amino-2-(3,4-dihydro-2H-quinoline-1-carbonylamino)-4-oxobutanoic acid
CID 61184722
(2R)-3-hydroxy-2-(2,3,4,5-tetrahydro-1-benzazepine-1-carbonylamino)propanoic acid
CID 80757153
(2S)-2-(3,4-dihydro-2H-quinoline-1-carbonylamino)-3,3-dimethylbutanoic acid
CID 61184377
2-(3,4-dihydro-2H-quinoline-1-carbonylamino)-3,3-dimethylbutanoic acid
CID 61184900
3-(3,4-dihydro-2H-quinoline-1-carbonylamino)-2-methylpropanoic acid
CID 62669562
2-(2,3-dihydroindole-1-carbonylamino)-4-hydroxybutanoic acid
CID 61230248
(2S,3R)-2-(2,3-dihydroindole-1-carbonylamino)-3-methylpentanoic acid
CID 41129473
3-cyclohexyl-2-(2,3-dihydroindole-1-carbonylamino)propanoic acid
CID 166748735
2-(2,3-dihydroindole-1-carbonylamino)-3-pyrimidin-2-ylpropanoic acid
CID 166257935
2-[2-(3,4-dihydro-2H-quinolin-1-yl)-2-oxoethyl]sulfanylbutanoic acid
CID 82180569
3-(3,4-dihydro-2H-quinoline-1-carbonylamino)-3-methylbutanoic acid
CID 64702390
[(2R)-1-(3,4-dihydro-2H-quinolin-1-yl)-1-oxopropan-2-yl]carbamic acid
CID 70362593

Frequently Asked Questions

What is the IUPAC name of 2-(3,4-dihydro-2H-quinoline-1-carbonylamino)butanoic acid?
The IUPAC name of 2-(3,4-dihydro-2H-quinoline-1-carbonylamino)butanoic acid (CID 61185072) is 2-(3,4-dihydro-2H-quinoline-1-carbonylamino)butanoic acid.
What is the SMILES notation for 2-(3,4-dihydro-2H-quinoline-1-carbonylamino)butanoic acid?
The canonical SMILES for 2-(3,4-dihydro-2H-quinoline-1-carbonylamino)butanoic acid is CCC(NC(=O)N1CCCc2ccccc21)C(=O)O.
What is the InChIKey of 2-(3,4-dihydro-2H-quinoline-1-carbonylamino)butanoic acid?
The InChIKey is QXVLRHCHLYIWRG-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H18N2O3/c1-2-11(13(17)18)15-14(19)16-9-5-7-10-6-3-4-8-12(10)16/h3-4,6,8,11H,2,5,7,9H2,1H3,(H,15,19)(H,17,18).
What are the key properties of 2-(3,4-dihydro-2H-quinoline-1-carbonylamino)butanoic acid?
2-(3,4-dihydro-2H-quinoline-1-carbonylamino)butanoic acid has a molecular weight of 262.31 g/mol, XLogP of 2.01, 3 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3,4-dihydro-2H-quinoline-1-carbonylamino)butanoic acid is sourced from PubChem (CID 61185072), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).