methyl 2-methyl-3-[methyl-(4-methyl-3-oxopyrazin-2-yl)amino]propanoate

C11H17N3O3 — CID 62940103

IUPACmethyl 2-methyl-3-[methyl-(4-methyl-3-oxopyrazin-2-yl)amino]propanoate
SMILESCOC(=O)C(C)CN(C)c1nccn(C)c1=O
InChIInChI=1S/C11H17N3O3/c1-8(11(16)17-4)7-14(3)9-10(15)13(2)6-5-12-9/h5-6,8H,7H2,1-4H3
InChIKeyNABZUPNLURKHAJ-UHFFFAOYSA-N
MW239.27 g/mol
LogP0.03
Rot. Bonds4

About methyl 2-methyl-3-[methyl-(4-methyl-3-oxopyrazin-2-yl)amino]propanoate

methyl 2-methyl-3-[methyl-(4-methyl-3-oxopyrazin-2-yl)amino]propanoate (PubChem CID 62940103) has the molecular formula C11H17N3O3 and a molecular weight of 239.27 g/mol. Its IUPAC name is methyl 2-methyl-3-[methyl-(4-methyl-3-oxopyrazin-2-yl)amino]propanoate.

Molecular Properties

Compound Namemethyl 2-methyl-3-[methyl-(4-methyl-3-oxopyrazin-2-yl)amino]propanoate
PubChem CID62940103
Molecular FormulaC11H17N3O3
Molecular Weight239.27 g/mol
Exact Mass239.13
IUPAC Namemethyl 2-methyl-3-[methyl-(4-methyl-3-oxopyrazin-2-yl)amino]propanoate
SMILESCOC(=O)C(C)CN(C)c1nccn(C)c1=O
InChIInChI=1S/C11H17N3O3/c1-8(11(16)17-4)7-14(3)9-10(15)13(2)6-5-12-9/h5-6,8H,7H2,1-4H3
InChIKeyNABZUPNLURKHAJ-UHFFFAOYSA-N
XLogP0.03
TPSA64.43 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500239.27
LogP ≤ 50.03
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Analyze methyl 2-methyl-3-[methyl-(4-methyl-3-oxopyrazin-2-yl)amino]propanoate with MolForge

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Related Compounds

1-methyl-3-[methyl-[2-methyl-3-(methylamino)propyl]amino]pyrazin-2-one
CID 106918192
2-methyl-3-[methyl-(4-methyl-3-oxopyrazin-2-yl)amino]propanenitrile
CID 62940589
methyl 3-[(7-hydroxyisoquinolin-1-yl)-methylamino]-2-methylpropanoate
CID 106541967
3-[2-hydroxyethyl(methyl)amino]-1-methylpyrazin-2-one
CID 62940803
methyl 2-[(4-methyl-3-oxopyrazin-2-yl)amino]propanoate
CID 62939909
methyl 3-[methyl-(3-oxo-4-propan-2-ylpyrazin-2-yl)amino]propanoate
CID 62928880
methyl 2-methyl-3-[(1-methylimidazol-2-yl)methylamino]propanoate
CID 63295782
N'-hydroxy-2-methyl-3-[methyl-(3-oxo-4-propan-2-ylpyrazin-2-yl)amino]propanimidamide
CID 76981212
N'-hydroxy-3-[(4-methyl-3-oxopyrazin-2-yl)-(2-methylpropyl)amino]propanimidamide
CID 76981244
methyl (2R)-3-[(5-bromopyrimidin-2-yl)-methylamino]-2-methylpropanoate
CID 97019810
3-[[3-hydroxy-2-(hydroxymethyl)-2-methylpropyl]-methylamino]-1-methylpyrazin-2-one
CID 136519461
3-[2,2-difluoroethyl(2-hydroxyethyl)amino]-1-methylpyrazin-2-one
CID 107484278

Frequently Asked Questions

What is the IUPAC name of methyl 2-methyl-3-[methyl-(4-methyl-3-oxopyrazin-2-yl)amino]propanoate?
The IUPAC name of methyl 2-methyl-3-[methyl-(4-methyl-3-oxopyrazin-2-yl)amino]propanoate (CID 62940103) is methyl 2-methyl-3-[methyl-(4-methyl-3-oxopyrazin-2-yl)amino]propanoate.
What is the SMILES notation for methyl 2-methyl-3-[methyl-(4-methyl-3-oxopyrazin-2-yl)amino]propanoate?
The canonical SMILES for methyl 2-methyl-3-[methyl-(4-methyl-3-oxopyrazin-2-yl)amino]propanoate is COC(=O)C(C)CN(C)c1nccn(C)c1=O.
What is the InChIKey of methyl 2-methyl-3-[methyl-(4-methyl-3-oxopyrazin-2-yl)amino]propanoate?
The InChIKey is NABZUPNLURKHAJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H17N3O3/c1-8(11(16)17-4)7-14(3)9-10(15)13(2)6-5-12-9/h5-6,8H,7H2,1-4H3.
What are the key properties of methyl 2-methyl-3-[methyl-(4-methyl-3-oxopyrazin-2-yl)amino]propanoate?
methyl 2-methyl-3-[methyl-(4-methyl-3-oxopyrazin-2-yl)amino]propanoate has a molecular weight of 239.27 g/mol, XLogP of 0.03, 4 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 2-methyl-3-[methyl-(4-methyl-3-oxopyrazin-2-yl)amino]propanoate is sourced from PubChem (CID 62940103), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).