2-[tert-butyl(3,4-dihydro-2H-quinoline-1-carbonyl)amino]acetic acid

C16H22N2O3 — CID 79263741

IUPAC2-[tert-butyl(3,4-dihydro-2H-quinoline-1-carbonyl)amino]acetic acid
SMILESCC(C)(C)N(CC(=O)O)C(=O)N1CCCc2ccccc21
InChIInChI=1S/C16H22N2O3/c1-16(2,3)18(11-14(19)20)15(21)17-10-6-8-12-7-4-5-9-13(12)17/h4-5,7,9H,6,8,10-11H2,1-3H3,(H,19,20)
InChIKeyXRQXXCSVWFPVSE-UHFFFAOYSA-N
MW290.36 g/mol
LogP2.74
Rot. Bonds2

About 2-[tert-butyl(3,4-dihydro-2H-quinoline-1-carbonyl)amino]acetic acid

2-[tert-butyl(3,4-dihydro-2H-quinoline-1-carbonyl)amino]acetic acid (PubChem CID 79263741) has the molecular formula C16H22N2O3 and a molecular weight of 290.36 g/mol. Its IUPAC name is 2-[tert-butyl(3,4-dihydro-2H-quinoline-1-carbonyl)amino]acetic acid.

Molecular Properties

Compound Name2-[tert-butyl(3,4-dihydro-2H-quinoline-1-carbonyl)amino]acetic acid
PubChem CID79263741
Molecular FormulaC16H22N2O3
Molecular Weight290.36 g/mol
Exact Mass290.16
IUPAC Name2-[tert-butyl(3,4-dihydro-2H-quinoline-1-carbonyl)amino]acetic acid
SMILESCC(C)(C)N(CC(=O)O)C(=O)N1CCCc2ccccc21
InChIInChI=1S/C16H22N2O3/c1-16(2,3)18(11-14(19)20)15(21)17-10-6-8-12-7-4-5-9-13(12)17/h4-5,7,9H,6,8,10-11H2,1-3H3,(H,19,20)
InChIKeyXRQXXCSVWFPVSE-UHFFFAOYSA-N
XLogP2.74
TPSA60.85 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500290.36
LogP ≤ 52.74
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

4-[3,4-dihydro-2H-quinoline-1-carbonyl(methyl)amino]butanoic acid
CID 43329794
3-[cyclopropyl(3,4-dihydro-2H-quinoline-1-carbonyl)amino]propanoic acid
CID 61185424
2-[cyclopropyl-[2-(3,4-dihydro-2H-quinolin-1-yl)-2-oxoethyl]amino]acetic acid
CID 60834511
N-tert-butyl-N-[3-(3,4-dihydro-2H-quinolin-1-yl)-3-oxopropyl]acetamide
CID 113122514
2-[cyclopentyl(2,3-dihydroindole-1-carbonyl)amino]acetic acid
CID 61189507
N-benzyl-N-propan-2-yl-3,4-dihydro-2H-quinoline-1-carboxamide
CID 108990709
2-[butan-2-yl(2,3-dihydroindole-1-carbonyl)amino]acetic acid
CID 61189508
3-(3,4-dihydro-2H-quinoline-1-carbonylamino)-3-methylbutanoic acid
CID 64702390
2-[cyclohexyl(methyl)amino]-1-(3,4-dihydro-2H-quinolin-1-yl)ethanone
CID 54817931
1-(3,4-dihydro-2H-quinolin-1-yl)-2-[methyl-[(1R)-1-phenylethyl]amino]ethanone
CID 68964307
1-(3,4-dihydro-2H-quinolin-1-yl)ethanone;ethane
CID 143423489
N-(2-methyl-2-phenylpropyl)-3,4-dihydro-2H-quinoline-1-carboxamide
CID 113213261

Frequently Asked Questions

What is the IUPAC name of 2-[tert-butyl(3,4-dihydro-2H-quinoline-1-carbonyl)amino]acetic acid?
The IUPAC name of 2-[tert-butyl(3,4-dihydro-2H-quinoline-1-carbonyl)amino]acetic acid (CID 79263741) is 2-[tert-butyl(3,4-dihydro-2H-quinoline-1-carbonyl)amino]acetic acid.
What is the SMILES notation for 2-[tert-butyl(3,4-dihydro-2H-quinoline-1-carbonyl)amino]acetic acid?
The canonical SMILES for 2-[tert-butyl(3,4-dihydro-2H-quinoline-1-carbonyl)amino]acetic acid is CC(C)(C)N(CC(=O)O)C(=O)N1CCCc2ccccc21.
What is the InChIKey of 2-[tert-butyl(3,4-dihydro-2H-quinoline-1-carbonyl)amino]acetic acid?
The InChIKey is XRQXXCSVWFPVSE-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H22N2O3/c1-16(2,3)18(11-14(19)20)15(21)17-10-6-8-12-7-4-5-9-13(12)17/h4-5,7,9H,6,8,10-11H2,1-3H3,(H,19,20).
What are the key properties of 2-[tert-butyl(3,4-dihydro-2H-quinoline-1-carbonyl)amino]acetic acid?
2-[tert-butyl(3,4-dihydro-2H-quinoline-1-carbonyl)amino]acetic acid has a molecular weight of 290.36 g/mol, XLogP of 2.74, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[tert-butyl(3,4-dihydro-2H-quinoline-1-carbonyl)amino]acetic acid is sourced from PubChem (CID 79263741), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).