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

C9H13N3O3 — CID 62939909

IUPACmethyl 2-[(4-methyl-3-oxopyrazin-2-yl)amino]propanoate
SMILESCOC(=O)C(C)Nc1nccn(C)c1=O
InChIInChI=1S/C9H13N3O3/c1-6(9(14)15-3)11-7-8(13)12(2)5-4-10-7/h4-6H,1-3H3,(H,10,11)
InChIKeyICKGPWGESNBEPK-UHFFFAOYSA-N
MW211.22 g/mol
LogP-0.25
Rot. Bonds3

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

methyl 2-[(4-methyl-3-oxopyrazin-2-yl)amino]propanoate (PubChem CID 62939909) has the molecular formula C9H13N3O3 and a molecular weight of 211.22 g/mol. Its IUPAC name is methyl 2-[(4-methyl-3-oxopyrazin-2-yl)amino]propanoate.

Molecular Properties

Compound Namemethyl 2-[(4-methyl-3-oxopyrazin-2-yl)amino]propanoate
PubChem CID62939909
Molecular FormulaC9H13N3O3
Molecular Weight211.22 g/mol
Exact Mass211.10
IUPAC Namemethyl 2-[(4-methyl-3-oxopyrazin-2-yl)amino]propanoate
SMILESCOC(=O)C(C)Nc1nccn(C)c1=O
InChIInChI=1S/C9H13N3O3/c1-6(9(14)15-3)11-7-8(13)12(2)5-4-10-7/h4-6H,1-3H3,(H,10,11)
InChIKeyICKGPWGESNBEPK-UHFFFAOYSA-N
XLogP-0.25
TPSA73.22 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500211.22
LogP ≤ 5-0.25
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

methyl 2-[(4-cyclopropyl-3-oxopyrazin-2-yl)amino]propanoate
CID 62938795
methyl 2-[(4-methyl-3-oxopyrazin-2-yl)amino]-2-phenylacetate
CID 62939898
(4-methyl-3-oxopyrazin-2-yl)urea
CID 130723706
3-[[(2S)-1-hydroxy-3-methylbutan-2-yl]amino]-1-methylpyrazin-2-one
CID 79247191
3-(4-hydroxybutan-2-ylamino)-1-methylpyrazin-2-one
CID 79033342
2-[(4-ethyl-3-oxopyrazin-2-yl)amino]propanamide
CID 62939329
3-(1-cyclopropylethylamino)-1-methylpyrazin-2-one
CID 62940076
3-[(1-hydroxy-4-methylpentan-3-yl)amino]-1-methylpyrazin-2-one
CID 103703893
methyl 2-[(3-carbamothioylpyrazin-2-yl)amino]propanoate
CID 62683776
ethyl 2-[(1-methylimidazol-2-yl)amino]propanoate
CID 62133474
3-(1-aminobutan-2-ylamino)-1-methylpyrazin-2-one
CID 63765313
1-methyl-3-(1-methylsulfonylpropan-2-ylamino)pyrazin-2-one
CID 64642834

Frequently Asked Questions

What is the IUPAC name of methyl 2-[(4-methyl-3-oxopyrazin-2-yl)amino]propanoate?
The IUPAC name of methyl 2-[(4-methyl-3-oxopyrazin-2-yl)amino]propanoate (CID 62939909) is methyl 2-[(4-methyl-3-oxopyrazin-2-yl)amino]propanoate.
What is the SMILES notation for methyl 2-[(4-methyl-3-oxopyrazin-2-yl)amino]propanoate?
The canonical SMILES for methyl 2-[(4-methyl-3-oxopyrazin-2-yl)amino]propanoate is COC(=O)C(C)Nc1nccn(C)c1=O.
What is the InChIKey of methyl 2-[(4-methyl-3-oxopyrazin-2-yl)amino]propanoate?
The InChIKey is ICKGPWGESNBEPK-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H13N3O3/c1-6(9(14)15-3)11-7-8(13)12(2)5-4-10-7/h4-6H,1-3H3,(H,10,11).
What are the key properties of methyl 2-[(4-methyl-3-oxopyrazin-2-yl)amino]propanoate?
methyl 2-[(4-methyl-3-oxopyrazin-2-yl)amino]propanoate has a molecular weight of 211.22 g/mol, XLogP of -0.25, 3 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 2-[(4-methyl-3-oxopyrazin-2-yl)amino]propanoate is sourced from PubChem (CID 62939909), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).