2-methyl-2-[methyl-(4-methyl-2,3-dihydroquinoxaline-1-carbonyl)amino]propanoic acid

C15H21N3O3 — CID 63776639

IUPAC2-methyl-2-[methyl-(4-methyl-2,3-dihydroquinoxaline-1-carbonyl)amino]propanoic acid
SMILESCN1CCN(C(=O)N(C)C(C)(C)C(=O)O)c2ccccc21
InChIInChI=1S/C15H21N3O3/c1-15(2,13(19)20)17(4)14(21)18-10-9-16(3)11-7-5-6-8-12(11)18/h5-8H,9-10H2,1-4H3,(H,19,20)
InChIKeyNIMKSLVOFJYRKY-UHFFFAOYSA-N
MW291.35 g/mol
LogP1.86
Rot. Bonds2

About 2-methyl-2-[methyl-(4-methyl-2,3-dihydroquinoxaline-1-carbonyl)amino]propanoic acid

2-methyl-2-[methyl-(4-methyl-2,3-dihydroquinoxaline-1-carbonyl)amino]propanoic acid (PubChem CID 63776639) has the molecular formula C15H21N3O3 and a molecular weight of 291.35 g/mol. Its IUPAC name is 2-methyl-2-[methyl-(4-methyl-2,3-dihydroquinoxaline-1-carbonyl)amino]propanoic acid.

Molecular Properties

Compound Name2-methyl-2-[methyl-(4-methyl-2,3-dihydroquinoxaline-1-carbonyl)amino]propanoic acid
PubChem CID63776639
Molecular FormulaC15H21N3O3
Molecular Weight291.35 g/mol
Exact Mass291.16
IUPAC Name2-methyl-2-[methyl-(4-methyl-2,3-dihydroquinoxaline-1-carbonyl)amino]propanoic acid
SMILESCN1CCN(C(=O)N(C)C(C)(C)C(=O)O)c2ccccc21
InChIInChI=1S/C15H21N3O3/c1-15(2,13(19)20)17(4)14(21)18-10-9-16(3)11-7-5-6-8-12(11)18/h5-8H,9-10H2,1-4H3,(H,19,20)
InChIKeyNIMKSLVOFJYRKY-UHFFFAOYSA-N
XLogP1.86
TPSA64.09 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500291.35
LogP ≤ 51.86
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-methyl-2-[methyl-(4-methyl-2,3-dihydroquinoxaline-1-carbonyl)amino]propanoic acid?
The IUPAC name of 2-methyl-2-[methyl-(4-methyl-2,3-dihydroquinoxaline-1-carbonyl)amino]propanoic acid (CID 63776639) is 2-methyl-2-[methyl-(4-methyl-2,3-dihydroquinoxaline-1-carbonyl)amino]propanoic acid.
What is the SMILES notation for 2-methyl-2-[methyl-(4-methyl-2,3-dihydroquinoxaline-1-carbonyl)amino]propanoic acid?
The canonical SMILES for 2-methyl-2-[methyl-(4-methyl-2,3-dihydroquinoxaline-1-carbonyl)amino]propanoic acid is CN1CCN(C(=O)N(C)C(C)(C)C(=O)O)c2ccccc21.
What is the InChIKey of 2-methyl-2-[methyl-(4-methyl-2,3-dihydroquinoxaline-1-carbonyl)amino]propanoic acid?
The InChIKey is NIMKSLVOFJYRKY-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H21N3O3/c1-15(2,13(19)20)17(4)14(21)18-10-9-16(3)11-7-5-6-8-12(11)18/h5-8H,9-10H2,1-4H3,(H,19,20).
What are the key properties of 2-methyl-2-[methyl-(4-methyl-2,3-dihydroquinoxaline-1-carbonyl)amino]propanoic acid?
2-methyl-2-[methyl-(4-methyl-2,3-dihydroquinoxaline-1-carbonyl)amino]propanoic acid has a molecular weight of 291.35 g/mol, XLogP of 1.86, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-2-[methyl-(4-methyl-2,3-dihydroquinoxaline-1-carbonyl)amino]propanoic acid is sourced from PubChem (CID 63776639), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).