2-methyl-2-[methyl-[2-(2-oxo-3,4-dihydroquinolin-1-yl)acetyl]amino]propanoic acid

C16H20N2O4 — CID 119200753

IUPAC2-methyl-2-[methyl-[2-(2-oxo-3,4-dihydroquinolin-1-yl)acetyl]amino]propanoic acid
SMILESCN(C(=O)CN1C(=O)CCc2ccccc21)C(C)(C)C(=O)O
InChIInChI=1S/C16H20N2O4/c1-16(2,15(21)22)17(3)14(20)10-18-12-7-5-4-6-11(12)8-9-13(18)19/h4-7H,8-10H2,1-3H3,(H,21,22)
InChIKeyJGHMCSOOERWKKF-UHFFFAOYSA-N
MW304.35 g/mol
LogP1.29
Rot. Bonds4

About 2-methyl-2-[methyl-[2-(2-oxo-3,4-dihydroquinolin-1-yl)acetyl]amino]propanoic acid

2-methyl-2-[methyl-[2-(2-oxo-3,4-dihydroquinolin-1-yl)acetyl]amino]propanoic acid (PubChem CID 119200753) has the molecular formula C16H20N2O4 and a molecular weight of 304.35 g/mol. Its IUPAC name is 2-methyl-2-[methyl-[2-(2-oxo-3,4-dihydroquinolin-1-yl)acetyl]amino]propanoic acid.

Molecular Properties

Compound Name2-methyl-2-[methyl-[2-(2-oxo-3,4-dihydroquinolin-1-yl)acetyl]amino]propanoic acid
PubChem CID119200753
Molecular FormulaC16H20N2O4
Molecular Weight304.35 g/mol
Exact Mass304.14
IUPAC Name2-methyl-2-[methyl-[2-(2-oxo-3,4-dihydroquinolin-1-yl)acetyl]amino]propanoic acid
SMILESCN(C(=O)CN1C(=O)CCc2ccccc21)C(C)(C)C(=O)O
InChIInChI=1S/C16H20N2O4/c1-16(2,15(21)22)17(3)14(20)10-18-12-7-5-4-6-11(12)8-9-13(18)19/h4-7H,8-10H2,1-3H3,(H,21,22)
InChIKeyJGHMCSOOERWKKF-UHFFFAOYSA-N
XLogP1.29
TPSA77.92 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500304.35
LogP ≤ 51.29
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze 2-methyl-2-[methyl-[2-(2-oxo-3,4-dihydroquinolin-1-yl)acetyl]amino]propanoic acid with MolForge

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Related Compounds

2-methyl-2-[[2-(2-oxo-3,4-dihydroquinolin-1-yl)acetyl]amino]propanoic acid
CID 119187860
N-methyl-2-(2-oxo-4,5-dihydro-3H-1-benzazepin-1-yl)-N-phenylacetamide
CID 146122799
N-(4-bromophenyl)-N-methyl-2-(2-oxo-3,4-dihydroquinolin-1-yl)acetamide
CID 126457814
2-[cyclopropyl-[2-(2-oxo-3,4-dihydroquinolin-1-yl)acetyl]amino]acetic acid
CID 119195419
2-methyl-2-[methyl-[2-(3-oxo-1H-isoindol-2-yl)acetyl]amino]propanoic acid
CID 119200744
1-ethyl-3,4-dihydroquinolin-2-one
CID 14580225
4-[[methyl-[3-(2-oxo-3,4-dihydroquinolin-1-yl)propanoyl]amino]methyl]benzoic acid
CID 119226114
tert-butyl 2-(2-oxo-3,4,5,6-tetrahydro-1-benzazocin-1-yl)acetate
CID 143520690
(2S)-2-[methyl-[4-(2-oxo-3,4-dihydroquinolin-1-yl)butanoyl]amino]propanoic acid
CID 125419117
N-(1-hydroxy-3-methylpentan-3-yl)-2-(2-oxo-3,4-dihydroquinolin-1-yl)acetamide
CID 110002443
1-[2-[ethyl(methyl)amino]-2-oxoethyl]-2-oxo-3,4-dihydroquinoline-6-carboxylic acid
CID 102711329
5-[[2-(2-oxo-3,4-dihydroquinolin-1-yl)acetyl]amino]pentanoic acid
CID 119235203

Frequently Asked Questions

What is the IUPAC name of 2-methyl-2-[methyl-[2-(2-oxo-3,4-dihydroquinolin-1-yl)acetyl]amino]propanoic acid?
The IUPAC name of 2-methyl-2-[methyl-[2-(2-oxo-3,4-dihydroquinolin-1-yl)acetyl]amino]propanoic acid (CID 119200753) is 2-methyl-2-[methyl-[2-(2-oxo-3,4-dihydroquinolin-1-yl)acetyl]amino]propanoic acid.
What is the SMILES notation for 2-methyl-2-[methyl-[2-(2-oxo-3,4-dihydroquinolin-1-yl)acetyl]amino]propanoic acid?
The canonical SMILES for 2-methyl-2-[methyl-[2-(2-oxo-3,4-dihydroquinolin-1-yl)acetyl]amino]propanoic acid is CN(C(=O)CN1C(=O)CCc2ccccc21)C(C)(C)C(=O)O.
What is the InChIKey of 2-methyl-2-[methyl-[2-(2-oxo-3,4-dihydroquinolin-1-yl)acetyl]amino]propanoic acid?
The InChIKey is JGHMCSOOERWKKF-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H20N2O4/c1-16(2,15(21)22)17(3)14(20)10-18-12-7-5-4-6-11(12)8-9-13(18)19/h4-7H,8-10H2,1-3H3,(H,21,22).
What are the key properties of 2-methyl-2-[methyl-[2-(2-oxo-3,4-dihydroquinolin-1-yl)acetyl]amino]propanoic acid?
2-methyl-2-[methyl-[2-(2-oxo-3,4-dihydroquinolin-1-yl)acetyl]amino]propanoic acid has a molecular weight of 304.35 g/mol, XLogP of 1.29, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-2-[methyl-[2-(2-oxo-3,4-dihydroquinolin-1-yl)acetyl]amino]propanoic acid is sourced from PubChem (CID 119200753), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).