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

C14H18N2O3 — CID 62669562

IUPAC3-(3,4-dihydro-2H-quinoline-1-carbonylamino)-2-methylpropanoic acid
SMILESCC(CNC(=O)N1CCCc2ccccc21)C(=O)O
InChIInChI=1S/C14H18N2O3/c1-10(13(17)18)9-15-14(19)16-8-4-6-11-5-2-3-7-12(11)16/h2-3,5,7,10H,4,6,8-9H2,1H3,(H,15,19)(H,17,18)
InChIKeyQASNGTKSDYKLBG-UHFFFAOYSA-N
MW262.31 g/mol
LogP1.87
Rot. Bonds3

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

3-(3,4-dihydro-2H-quinoline-1-carbonylamino)-2-methylpropanoic acid (PubChem CID 62669562) has the molecular formula C14H18N2O3 and a molecular weight of 262.31 g/mol. Its IUPAC name is 3-(3,4-dihydro-2H-quinoline-1-carbonylamino)-2-methylpropanoic acid.

Molecular Properties

Compound Name3-(3,4-dihydro-2H-quinoline-1-carbonylamino)-2-methylpropanoic acid
PubChem CID62669562
Molecular FormulaC14H18N2O3
Molecular Weight262.31 g/mol
Exact Mass262.13
IUPAC Name3-(3,4-dihydro-2H-quinoline-1-carbonylamino)-2-methylpropanoic acid
SMILESCC(CNC(=O)N1CCCc2ccccc21)C(=O)O
InChIInChI=1S/C14H18N2O3/c1-10(13(17)18)9-15-14(19)16-8-4-6-11-5-2-3-7-12(11)16/h2-3,5,7,10H,4,6,8-9H2,1H3,(H,15,19)(H,17,18)
InChIKeyQASNGTKSDYKLBG-UHFFFAOYSA-N
XLogP1.87
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 ≤ 51.87
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

2-(3,4-dihydro-2H-quinoline-1-carbonylamino)butanoic acid
CID 61185072
N-(2-methyl-2-phenylpropyl)-3,4-dihydro-2H-quinoline-1-carboxamide
CID 113213261
(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
(2S)-2-hydroxy-4-(2,3,4,5-tetrahydro-1-benzazepine-1-carbonylamino)butanoic acid
CID 107840294
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
N-(3-phenylpropyl)-3,4-dihydro-2H-quinoline-1-carboxamide
CID 108990483
N-[(2R)-2-(dimethylamino)-2-phenylethyl]-2,3-dihydroindole-1-carboxamide
CID 52592244
N-(oxiran-2-ylmethyl)-3,4-dihydro-2H-quinoline-1-carboxamide
CID 150484451
3-(3,4-dihydro-2H-quinoline-1-carbonylamino)-3-methylbutanoic acid
CID 64702390
3-(3,4-dihydro-2H-quinolin-1-yl)-2,2-dimethyl-N-(2-methylpropyl)-3-oxopropanamide
CID 108958049

Frequently Asked Questions

What is the IUPAC name of 3-(3,4-dihydro-2H-quinoline-1-carbonylamino)-2-methylpropanoic acid?
The IUPAC name of 3-(3,4-dihydro-2H-quinoline-1-carbonylamino)-2-methylpropanoic acid (CID 62669562) is 3-(3,4-dihydro-2H-quinoline-1-carbonylamino)-2-methylpropanoic acid.
What is the SMILES notation for 3-(3,4-dihydro-2H-quinoline-1-carbonylamino)-2-methylpropanoic acid?
The canonical SMILES for 3-(3,4-dihydro-2H-quinoline-1-carbonylamino)-2-methylpropanoic acid is CC(CNC(=O)N1CCCc2ccccc21)C(=O)O.
What is the InChIKey of 3-(3,4-dihydro-2H-quinoline-1-carbonylamino)-2-methylpropanoic acid?
The InChIKey is QASNGTKSDYKLBG-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H18N2O3/c1-10(13(17)18)9-15-14(19)16-8-4-6-11-5-2-3-7-12(11)16/h2-3,5,7,10H,4,6,8-9H2,1H3,(H,15,19)(H,17,18).
What are the key properties of 3-(3,4-dihydro-2H-quinoline-1-carbonylamino)-2-methylpropanoic acid?
3-(3,4-dihydro-2H-quinoline-1-carbonylamino)-2-methylpropanoic acid has a molecular weight of 262.31 g/mol, XLogP of 1.87, 3 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(3,4-dihydro-2H-quinoline-1-carbonylamino)-2-methylpropanoic acid is sourced from PubChem (CID 62669562), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).