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

C15H20N2O3 — CID 64702390

IUPAC3-(3,4-dihydro-2H-quinoline-1-carbonylamino)-3-methylbutanoic acid
SMILESCC(C)(CC(=O)O)NC(=O)N1CCCc2ccccc21
InChIInChI=1S/C15H20N2O3/c1-15(2,10-13(18)19)16-14(20)17-9-5-7-11-6-3-4-8-12(11)17/h3-4,6,8H,5,7,9-10H2,1-2H3,(H,16,20)(H,18,19)
InChIKeyGWTUJOWKQHGTBL-UHFFFAOYSA-N
MW276.34 g/mol
LogP2.40
Rot. Bonds3

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

3-(3,4-dihydro-2H-quinoline-1-carbonylamino)-3-methylbutanoic acid (PubChem CID 64702390) has the molecular formula C15H20N2O3 and a molecular weight of 276.34 g/mol. Its IUPAC name is 3-(3,4-dihydro-2H-quinoline-1-carbonylamino)-3-methylbutanoic acid.

Molecular Properties

Compound Name3-(3,4-dihydro-2H-quinoline-1-carbonylamino)-3-methylbutanoic acid
PubChem CID64702390
Molecular FormulaC15H20N2O3
Molecular Weight276.34 g/mol
Exact Mass276.15
IUPAC Name3-(3,4-dihydro-2H-quinoline-1-carbonylamino)-3-methylbutanoic acid
SMILESCC(C)(CC(=O)O)NC(=O)N1CCCc2ccccc21
InChIInChI=1S/C15H20N2O3/c1-15(2,10-13(18)19)16-14(20)17-9-5-7-11-6-3-4-8-12(11)17/h3-4,6,8H,5,7,9-10H2,1-2H3,(H,16,20)(H,18,19)
InChIKeyGWTUJOWKQHGTBL-UHFFFAOYSA-N
XLogP2.40
TPSA69.64 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500276.34
LogP ≤ 52.40
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

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
N-(3-phenylpropyl)-3,4-dihydro-2H-quinoline-1-carboxamide
CID 108990483
3-(3,4-dihydro-2H-quinoline-1-carbonylamino)-2-methylpropanoic acid
CID 62669562
2-(3,4-dihydro-2H-quinoline-1-carbonylamino)butanoic acid
CID 61185072
N-cyclopropyl-2,3,4,5-tetrahydro-1-benzazepine-1-carboxamide
CID 113225655
2-[tert-butyl(3,4-dihydro-2H-quinoline-1-carbonyl)amino]acetic acid
CID 79263741
1-(3,4-dihydro-2H-quinolin-1-yl)-2-[(2-methyl-1-phenylpropan-2-yl)amino]ethanone
CID 68969181
4-amino-2-(3,4-dihydro-2H-quinoline-1-carbonylamino)-4-oxobutanoic acid
CID 61184722
1-(3,4-dihydro-2H-quinolin-1-yl)ethanone;ethane
CID 143423489
2-(3,4-dihydro-2H-quinoline-1-carbonylamino)benzoic acid
CID 21186078

Frequently Asked Questions

What is the IUPAC name of 3-(3,4-dihydro-2H-quinoline-1-carbonylamino)-3-methylbutanoic acid?
The IUPAC name of 3-(3,4-dihydro-2H-quinoline-1-carbonylamino)-3-methylbutanoic acid (CID 64702390) is 3-(3,4-dihydro-2H-quinoline-1-carbonylamino)-3-methylbutanoic acid.
What is the SMILES notation for 3-(3,4-dihydro-2H-quinoline-1-carbonylamino)-3-methylbutanoic acid?
The canonical SMILES for 3-(3,4-dihydro-2H-quinoline-1-carbonylamino)-3-methylbutanoic acid is CC(C)(CC(=O)O)NC(=O)N1CCCc2ccccc21.
What is the InChIKey of 3-(3,4-dihydro-2H-quinoline-1-carbonylamino)-3-methylbutanoic acid?
The InChIKey is GWTUJOWKQHGTBL-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H20N2O3/c1-15(2,10-13(18)19)16-14(20)17-9-5-7-11-6-3-4-8-12(11)17/h3-4,6,8H,5,7,9-10H2,1-2H3,(H,16,20)(H,18,19).
What are the key properties of 3-(3,4-dihydro-2H-quinoline-1-carbonylamino)-3-methylbutanoic acid?
3-(3,4-dihydro-2H-quinoline-1-carbonylamino)-3-methylbutanoic acid has a molecular weight of 276.34 g/mol, XLogP of 2.40, 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)-3-methylbutanoic acid is sourced from PubChem (CID 64702390), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).