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

C16H22N2O3 — CID 79791498

IUPAC2-methyl-2-[(6-methyl-3,4-dihydro-2H-quinoline-1-carbonyl)amino]butanoic acid
SMILESCCC(C)(NC(=O)N1CCCc2cc(C)ccc21)C(=O)O
InChIInChI=1S/C16H22N2O3/c1-4-16(3,14(19)20)17-15(21)18-9-5-6-12-10-11(2)7-8-13(12)18/h7-8,10H,4-6,9H2,1-3H3,(H,17,21)(H,19,20)
InChIKeyKRSOWGABJXGQPQ-UHFFFAOYSA-N
MW290.36 g/mol
LogP2.71
Rot. Bonds3

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

2-methyl-2-[(6-methyl-3,4-dihydro-2H-quinoline-1-carbonyl)amino]butanoic acid (PubChem CID 79791498) has the molecular formula C16H22N2O3 and a molecular weight of 290.36 g/mol. Its IUPAC name is 2-methyl-2-[(6-methyl-3,4-dihydro-2H-quinoline-1-carbonyl)amino]butanoic acid.

Molecular Properties

Compound Name2-methyl-2-[(6-methyl-3,4-dihydro-2H-quinoline-1-carbonyl)amino]butanoic acid
PubChem CID79791498
Molecular FormulaC16H22N2O3
Molecular Weight290.36 g/mol
Exact Mass290.16
IUPAC Name2-methyl-2-[(6-methyl-3,4-dihydro-2H-quinoline-1-carbonyl)amino]butanoic acid
SMILESCCC(C)(NC(=O)N1CCCc2cc(C)ccc21)C(=O)O
InChIInChI=1S/C16H22N2O3/c1-4-16(3,14(19)20)17-15(21)18-9-5-6-12-10-11(2)7-8-13(12)18/h7-8,10H,4-6,9H2,1-3H3,(H,17,21)(H,19,20)
InChIKeyKRSOWGABJXGQPQ-UHFFFAOYSA-N
XLogP2.71
TPSA69.64 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500290.36
LogP ≤ 52.71
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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

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Related Compounds

(2S)-2-[(6-methyl-3,4-dihydro-2H-quinoline-1-carbonyl)amino]propanoic acid
CID 78967798
2-ethyl-1-(6-methyl-3,4-dihydro-2H-quinolin-1-yl)butan-1-one
CID 112762126
(6-methyl-3,4-dihydro-2H-quinolin-1-yl)-pyrrolidin-1-ylmethanone
CID 115578642
2-amino-2-methyl-1-(6-methyl-3,4-dihydro-2H-quinolin-1-yl)propan-1-one
CID 61264398
2-anilino-1-(6-methyl-3,4-dihydro-2H-quinolin-1-yl)ethanone;hydrochloride
CID 119685862
3-methyl-5-(6-methyl-3,4-dihydro-2H-quinolin-1-yl)-5-oxopentanoic acid
CID 62964343
6-amino-4,4-dimethyl-1-(6-methyl-3,4-dihydro-2H-quinolin-1-yl)hexan-1-one
CID 65293253
2-(methylamino)-1-(6-methyl-3,4-dihydro-2H-quinolin-1-yl)propan-1-one
CID 62638376
2-tert-butylsulfanyl-1-(6-methyl-3,4-dihydro-2H-quinolin-1-yl)ethanone
CID 112762105
1-(6-methyl-3,4-dihydro-2H-quinolin-1-yl)pentan-1-one
CID 78776221
2-[(6-methyl-3,4-dihydro-2H-quinoline-1-carbonyl)-propan-2-ylamino]acetic acid
CID 61186285
6-amino-N-tert-butyl-3,4-dihydro-2H-quinoline-1-carboxamide
CID 28785718

Frequently Asked Questions

What is the IUPAC name of 2-methyl-2-[(6-methyl-3,4-dihydro-2H-quinoline-1-carbonyl)amino]butanoic acid?
The IUPAC name of 2-methyl-2-[(6-methyl-3,4-dihydro-2H-quinoline-1-carbonyl)amino]butanoic acid (CID 79791498) is 2-methyl-2-[(6-methyl-3,4-dihydro-2H-quinoline-1-carbonyl)amino]butanoic acid.
What is the SMILES notation for 2-methyl-2-[(6-methyl-3,4-dihydro-2H-quinoline-1-carbonyl)amino]butanoic acid?
The canonical SMILES for 2-methyl-2-[(6-methyl-3,4-dihydro-2H-quinoline-1-carbonyl)amino]butanoic acid is CCC(C)(NC(=O)N1CCCc2cc(C)ccc21)C(=O)O.
What is the InChIKey of 2-methyl-2-[(6-methyl-3,4-dihydro-2H-quinoline-1-carbonyl)amino]butanoic acid?
The InChIKey is KRSOWGABJXGQPQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H22N2O3/c1-4-16(3,14(19)20)17-15(21)18-9-5-6-12-10-11(2)7-8-13(12)18/h7-8,10H,4-6,9H2,1-3H3,(H,17,21)(H,19,20).
What are the key properties of 2-methyl-2-[(6-methyl-3,4-dihydro-2H-quinoline-1-carbonyl)amino]butanoic acid?
2-methyl-2-[(6-methyl-3,4-dihydro-2H-quinoline-1-carbonyl)amino]butanoic acid has a molecular weight of 290.36 g/mol, XLogP of 2.71, 3 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-2-[(6-methyl-3,4-dihydro-2H-quinoline-1-carbonyl)amino]butanoic acid is sourced from PubChem (CID 79791498), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).