4-methyl-4-[(1-methylsulfonyl-3,4-dihydro-2H-quinoline-6-carbonyl)amino]pentanoic acid

C17H24N2O5S — CID 119203628

IUPAC4-methyl-4-[(1-methylsulfonyl-3,4-dihydro-2H-quinoline-6-carbonyl)amino]pentanoic acid
SMILESCC(C)(CCC(=O)O)NC(=O)c1ccc2c(c1)CCCN2S(C)(=O)=O
InChIInChI=1S/C17H24N2O5S/c1-17(2,9-8-15(20)21)18-16(22)13-6-7-14-12(11-13)5-4-10-19(14)25(3,23)24/h6-7,11H,4-5,8-10H2,1-3H3,(H,18,22)(H,20,21)
InChIKeyKUUSLWJYTNZQIO-UHFFFAOYSA-N
MW368.46 g/mol
LogP1.77
Rot. Bonds6

About 4-methyl-4-[(1-methylsulfonyl-3,4-dihydro-2H-quinoline-6-carbonyl)amino]pentanoic acid

4-methyl-4-[(1-methylsulfonyl-3,4-dihydro-2H-quinoline-6-carbonyl)amino]pentanoic acid (PubChem CID 119203628) has the molecular formula C17H24N2O5S and a molecular weight of 368.46 g/mol. Its IUPAC name is 4-methyl-4-[(1-methylsulfonyl-3,4-dihydro-2H-quinoline-6-carbonyl)amino]pentanoic acid.

Molecular Properties

Compound Name4-methyl-4-[(1-methylsulfonyl-3,4-dihydro-2H-quinoline-6-carbonyl)amino]pentanoic acid
PubChem CID119203628
Molecular FormulaC17H24N2O5S
Molecular Weight368.46 g/mol
Exact Mass368.14
IUPAC Name4-methyl-4-[(1-methylsulfonyl-3,4-dihydro-2H-quinoline-6-carbonyl)amino]pentanoic acid
SMILESCC(C)(CCC(=O)O)NC(=O)c1ccc2c(c1)CCCN2S(C)(=O)=O
InChIInChI=1S/C17H24N2O5S/c1-17(2,9-8-15(20)21)18-16(22)13-6-7-14-12(11-13)5-4-10-19(14)25(3,23)24/h6-7,11H,4-5,8-10H2,1-3H3,(H,18,22)(H,20,21)
InChIKeyKUUSLWJYTNZQIO-UHFFFAOYSA-N
XLogP1.77
TPSA103.78 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500368.46
LogP ≤ 51.77
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Analyze 4-methyl-4-[(1-methylsulfonyl-3,4-dihydro-2H-quinoline-6-carbonyl)amino]pentanoic acid with MolForge

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Related Compounds

N-(1-amino-2,3-dimethylbutan-2-yl)-1-methylsulfonyl-3,4-dihydro-2H-quinoline-6-carboxamide
CID 119606454
N-[2-(methylamino)ethyl]-1-methylsulfonyl-3,4-dihydro-2H-quinoline-6-carboxamide
CID 119501128
N-(1-amino-2,4-dimethylpentan-2-yl)-1-methylsulfonyl-3,4-dihydro-2H-quinoline-6-carboxamide;hydrochloride
CID 119598227
N-[2-(methylamino)ethyl]-1-methylsulfonyl-3,4-dihydro-2H-quinoline-6-carboxamide;hydrochloride
CID 119501127
N-(2-aminoethyl)-1-methylsulfonyl-3,4-dihydro-2H-quinoline-6-carboxamide;hydrochloride
CID 119382985
4-[(1-methylsulfonyl-3,4-dihydro-2H-quinoline-6-carbonyl)amino]cyclohexane-1-carboxylic acid
CID 119228969
2,2-dimethyl-3-[(1-methylsulfonyl-2,3-dihydroindole-5-carbonyl)amino]propanoic acid
CID 119249841
N-[1-(aminomethyl)cyclopentyl]-1-methylsulfonyl-3,4-dihydro-2H-quinoline-6-carboxamide;hydrochloride
CID 119565833
N-(3-amino-2-methylpropyl)-1-methylsulfonyl-3,4-dihydro-2H-quinoline-6-carboxamide
CID 119995968
N-[2-(aminomethyl)cyclopentyl]-1-methylsulfonyl-3,4-dihydro-2H-quinoline-6-carboxamide
CID 119601839
2-methyl-5-[(1-methylsulfonyl-3,4-dihydro-2H-quinoline-6-carbonyl)amino]benzoic acid
CID 119255068
N-[2-(aminomethyl)cyclopentyl]-1-methylsulfonyl-3,4-dihydro-2H-quinoline-6-carboxamide;hydrochloride
CID 119601838

Frequently Asked Questions

What is the IUPAC name of 4-methyl-4-[(1-methylsulfonyl-3,4-dihydro-2H-quinoline-6-carbonyl)amino]pentanoic acid?
The IUPAC name of 4-methyl-4-[(1-methylsulfonyl-3,4-dihydro-2H-quinoline-6-carbonyl)amino]pentanoic acid (CID 119203628) is 4-methyl-4-[(1-methylsulfonyl-3,4-dihydro-2H-quinoline-6-carbonyl)amino]pentanoic acid.
What is the SMILES notation for 4-methyl-4-[(1-methylsulfonyl-3,4-dihydro-2H-quinoline-6-carbonyl)amino]pentanoic acid?
The canonical SMILES for 4-methyl-4-[(1-methylsulfonyl-3,4-dihydro-2H-quinoline-6-carbonyl)amino]pentanoic acid is CC(C)(CCC(=O)O)NC(=O)c1ccc2c(c1)CCCN2S(C)(=O)=O.
What is the InChIKey of 4-methyl-4-[(1-methylsulfonyl-3,4-dihydro-2H-quinoline-6-carbonyl)amino]pentanoic acid?
The InChIKey is KUUSLWJYTNZQIO-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H24N2O5S/c1-17(2,9-8-15(20)21)18-16(22)13-6-7-14-12(11-13)5-4-10-19(14)25(3,23)24/h6-7,11H,4-5,8-10H2,1-3H3,(H,18,22)(H,20,21).
What are the key properties of 4-methyl-4-[(1-methylsulfonyl-3,4-dihydro-2H-quinoline-6-carbonyl)amino]pentanoic acid?
4-methyl-4-[(1-methylsulfonyl-3,4-dihydro-2H-quinoline-6-carbonyl)amino]pentanoic acid has a molecular weight of 368.46 g/mol, XLogP of 1.77, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-methyl-4-[(1-methylsulfonyl-3,4-dihydro-2H-quinoline-6-carbonyl)amino]pentanoic acid is sourced from PubChem (CID 119203628), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).