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

C16H20N2O4 — CID 102553283

IUPAC3,3-dimethyl-2-[(2-oxo-3,4-dihydro-1H-quinoline-6-carbonyl)amino]butanoic acid
SMILESCC(C)(C)C(NC(=O)c1ccc2c(c1)CCC(=O)N2)C(=O)O
InChIInChI=1S/C16H20N2O4/c1-16(2,3)13(15(21)22)18-14(20)10-4-6-11-9(8-10)5-7-12(19)17-11/h4,6,8,13H,5,7H2,1-3H3,(H,17,19)(H,18,20)(H,21,22)
InChIKeyCVRNXVMJALMUHB-UHFFFAOYSA-N
MW304.35 g/mol
LogP1.80
Rot. Bonds3

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

3,3-dimethyl-2-[(2-oxo-3,4-dihydro-1H-quinoline-6-carbonyl)amino]butanoic acid (PubChem CID 102553283) has the molecular formula C16H20N2O4 and a molecular weight of 304.35 g/mol. Its IUPAC name is 3,3-dimethyl-2-[(2-oxo-3,4-dihydro-1H-quinoline-6-carbonyl)amino]butanoic acid.

Molecular Properties

Compound Name3,3-dimethyl-2-[(2-oxo-3,4-dihydro-1H-quinoline-6-carbonyl)amino]butanoic acid
PubChem CID102553283
Molecular FormulaC16H20N2O4
Molecular Weight304.35 g/mol
Exact Mass304.14
IUPAC Name3,3-dimethyl-2-[(2-oxo-3,4-dihydro-1H-quinoline-6-carbonyl)amino]butanoic acid
SMILESCC(C)(C)C(NC(=O)c1ccc2c(c1)CCC(=O)N2)C(=O)O
InChIInChI=1S/C16H20N2O4/c1-16(2,3)13(15(21)22)18-14(20)10-4-6-11-9(8-10)5-7-12(19)17-11/h4,6,8,13H,5,7H2,1-3H3,(H,17,19)(H,18,20)(H,21,22)
InChIKeyCVRNXVMJALMUHB-UHFFFAOYSA-N
XLogP1.80
TPSA95.50 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500304.35
LogP ≤ 51.80
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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

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Related Compounds

(2S)-3-hydroxy-2-[(2-oxo-3,4-dihydro-1H-quinoline-6-carbonyl)amino]propanoic acid
CID 102710665
N-(2-methyl-1-phenylpropyl)-2-oxo-3,4-dihydro-1H-quinoline-6-carboxamide
CID 24625536
3-methoxy-2-[(2-oxo-3,4-dihydro-1H-quinoline-6-carbonyl)amino]propanoic acid
CID 102710812
4-methoxy-2-[(2-oxo-3,4-dihydro-1H-quinoline-6-carbonyl)amino]butanoic acid
CID 120703080
3,3-dimethyl-2-(5,6,7,8-tetrahydronaphthalene-2-carbonylamino)butanoic acid
CID 43467734
(2S)-2-(2,3-dihydro-1H-isoindole-5-carbonylamino)-3,3-dimethylbutanoic acid
CID 103870959
2-methyl-2-[4-[(2-oxo-3,4-dihydro-1H-quinoline-6-carbonyl)amino]phenyl]propanoic acid
CID 119254165
4-methyl-4-[(2-oxo-3,4-dihydro-1H-quinoline-6-carbonyl)amino]pentanoic acid
CID 119204206
2-[(2-oxo-3,4-dihydro-1H-quinoline-6-carbonyl)amino]acetic acid
CID 82480129
6-(2-amino-2-methylpropanoyl)-3,4-dihydro-1H-quinolin-2-one
CID 116915356
N-(1,2-diphenylethyl)-2-oxo-3,4-dihydro-1H-quinoline-6-carboxamide
CID 46564543
2-oxo-N-(2,2,3,3-tetramethylcyclopropyl)-3,4-dihydro-1H-quinoline-6-carboxamide
CID 103726730

Frequently Asked Questions

What is the IUPAC name of 3,3-dimethyl-2-[(2-oxo-3,4-dihydro-1H-quinoline-6-carbonyl)amino]butanoic acid?
The IUPAC name of 3,3-dimethyl-2-[(2-oxo-3,4-dihydro-1H-quinoline-6-carbonyl)amino]butanoic acid (CID 102553283) is 3,3-dimethyl-2-[(2-oxo-3,4-dihydro-1H-quinoline-6-carbonyl)amino]butanoic acid.
What is the SMILES notation for 3,3-dimethyl-2-[(2-oxo-3,4-dihydro-1H-quinoline-6-carbonyl)amino]butanoic acid?
The canonical SMILES for 3,3-dimethyl-2-[(2-oxo-3,4-dihydro-1H-quinoline-6-carbonyl)amino]butanoic acid is CC(C)(C)C(NC(=O)c1ccc2c(c1)CCC(=O)N2)C(=O)O.
What is the InChIKey of 3,3-dimethyl-2-[(2-oxo-3,4-dihydro-1H-quinoline-6-carbonyl)amino]butanoic acid?
The InChIKey is CVRNXVMJALMUHB-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H20N2O4/c1-16(2,3)13(15(21)22)18-14(20)10-4-6-11-9(8-10)5-7-12(19)17-11/h4,6,8,13H,5,7H2,1-3H3,(H,17,19)(H,18,20)(H,21,22).
What are the key properties of 3,3-dimethyl-2-[(2-oxo-3,4-dihydro-1H-quinoline-6-carbonyl)amino]butanoic acid?
3,3-dimethyl-2-[(2-oxo-3,4-dihydro-1H-quinoline-6-carbonyl)amino]butanoic acid has a molecular weight of 304.35 g/mol, XLogP of 1.80, 3 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3,3-dimethyl-2-[(2-oxo-3,4-dihydro-1H-quinoline-6-carbonyl)amino]butanoic acid is sourced from PubChem (CID 102553283), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).