3-[(6-methoxy-3-methylquinoxalin-2-yl)-methylamino]-2-methylpropanoic acid

C15H19N3O3 — CID 122064684

IUPAC3-[(6-methoxy-3-methylquinoxalin-2-yl)-methylamino]-2-methylpropanoic acid
SMILESCOc1ccc2nc(N(C)CC(C)C(=O)O)c(C)nc2c1
InChIInChI=1S/C15H19N3O3/c1-9(15(19)20)8-18(3)14-10(2)16-13-7-11(21-4)5-6-12(13)17-14/h5-7,9H,8H2,1-4H3,(H,19,20)
InChIKeyZIZDTEBWCBZAKB-UHFFFAOYSA-N
MW289.34 g/mol
LogP2.10
Rot. Bonds5

About 3-[(6-methoxy-3-methylquinoxalin-2-yl)-methylamino]-2-methylpropanoic acid

3-[(6-methoxy-3-methylquinoxalin-2-yl)-methylamino]-2-methylpropanoic acid (PubChem CID 122064684) has the molecular formula C15H19N3O3 and a molecular weight of 289.34 g/mol. Its IUPAC name is 3-[(6-methoxy-3-methylquinoxalin-2-yl)-methylamino]-2-methylpropanoic acid.

Molecular Properties

Compound Name3-[(6-methoxy-3-methylquinoxalin-2-yl)-methylamino]-2-methylpropanoic acid
PubChem CID122064684
Molecular FormulaC15H19N3O3
Molecular Weight289.34 g/mol
Exact Mass289.14
IUPAC Name3-[(6-methoxy-3-methylquinoxalin-2-yl)-methylamino]-2-methylpropanoic acid
SMILESCOc1ccc2nc(N(C)CC(C)C(=O)O)c(C)nc2c1
InChIInChI=1S/C15H19N3O3/c1-9(15(19)20)8-18(3)14-10(2)16-13-7-11(21-4)5-6-12(13)17-14/h5-7,9H,8H2,1-4H3,(H,19,20)
InChIKeyZIZDTEBWCBZAKB-UHFFFAOYSA-N
XLogP2.10
TPSA75.55 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500289.34
LogP ≤ 52.10
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

3-[(6-methoxyisoquinolin-1-yl)-methylamino]-2-methylpropanoic acid
CID 106536063
2-methyl-3-[methyl-(3-methylquinolin-2-yl)amino]propanoic acid
CID 55174576
3-[(7-methoxy-2-methylquinoline-3-carbonyl)amino]-2-methylpropanoic acid
CID 120525822
3-[1-(4-methoxyphenyl)ethyl-methylamino]-2-methylpropanoic acid
CID 65071757
3-[2-(4-methoxyphenyl)propanoyl-methylamino]-2-methylpropanoic acid
CID 119228886
6-methoxy-3-methyl-2-phenylquinoxaline
CID 15500862
4-(4-methoxy-N-methylanilino)-2-methylbutanoic acid
CID 115220604
3-[3-(2,5-dimethoxyphenyl)propanoyl-methylamino]-2-methylpropanoic acid
CID 119228673
3-[(3-cyano-4-methylquinolin-2-yl)-methylamino]-2-methylpropanoic acid
CID 122064692
3-[(4-methoxyphenyl)methyl-propan-2-ylamino]-2-methylpropanoic acid
CID 82328647
methyl 2-[methyl-(3-methylquinoxalin-2-yl)amino]acetate
CID 62375684
3-[[5-(4-methoxyphenyl)-5-oxopentanoyl]-methylamino]-2-methylpropanoic acid
CID 120687229

Frequently Asked Questions

What is the IUPAC name of 3-[(6-methoxy-3-methylquinoxalin-2-yl)-methylamino]-2-methylpropanoic acid?
The IUPAC name of 3-[(6-methoxy-3-methylquinoxalin-2-yl)-methylamino]-2-methylpropanoic acid (CID 122064684) is 3-[(6-methoxy-3-methylquinoxalin-2-yl)-methylamino]-2-methylpropanoic acid.
What is the SMILES notation for 3-[(6-methoxy-3-methylquinoxalin-2-yl)-methylamino]-2-methylpropanoic acid?
The canonical SMILES for 3-[(6-methoxy-3-methylquinoxalin-2-yl)-methylamino]-2-methylpropanoic acid is COc1ccc2nc(N(C)CC(C)C(=O)O)c(C)nc2c1.
What is the InChIKey of 3-[(6-methoxy-3-methylquinoxalin-2-yl)-methylamino]-2-methylpropanoic acid?
The InChIKey is ZIZDTEBWCBZAKB-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H19N3O3/c1-9(15(19)20)8-18(3)14-10(2)16-13-7-11(21-4)5-6-12(13)17-14/h5-7,9H,8H2,1-4H3,(H,19,20).
What are the key properties of 3-[(6-methoxy-3-methylquinoxalin-2-yl)-methylamino]-2-methylpropanoic acid?
3-[(6-methoxy-3-methylquinoxalin-2-yl)-methylamino]-2-methylpropanoic acid has a molecular weight of 289.34 g/mol, XLogP of 2.10, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(6-methoxy-3-methylquinoxalin-2-yl)-methylamino]-2-methylpropanoic acid is sourced from PubChem (CID 122064684), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).