methyl 2-[methyl-(6-oxo-1H-pyrazine-3-carbonyl)amino]acetate

C9H11N3O4 — CID 43623356

IUPACmethyl 2-[methyl-(6-oxo-1H-pyrazine-3-carbonyl)amino]acetate
SMILESCOC(=O)CN(C)C(=O)c1c[nH]c(=O)cn1
InChIInChI=1S/C9H11N3O4/c1-12(5-8(14)16-2)9(15)6-3-11-7(13)4-10-6/h3-4H,5H2,1-2H3,(H,11,13)
InChIKeyJCPCWVZHHLVPKZ-UHFFFAOYSA-N
MW225.20 g/mol
LogP-0.99
Rot. Bonds3

About methyl 2-[methyl-(6-oxo-1H-pyrazine-3-carbonyl)amino]acetate

methyl 2-[methyl-(6-oxo-1H-pyrazine-3-carbonyl)amino]acetate (PubChem CID 43623356) has the molecular formula C9H11N3O4 and a molecular weight of 225.20 g/mol. Its IUPAC name is methyl 2-[methyl-(6-oxo-1H-pyrazine-3-carbonyl)amino]acetate.

Molecular Properties

Compound Namemethyl 2-[methyl-(6-oxo-1H-pyrazine-3-carbonyl)amino]acetate
PubChem CID43623356
Molecular FormulaC9H11N3O4
Molecular Weight225.20 g/mol
Exact Mass225.07
IUPAC Namemethyl 2-[methyl-(6-oxo-1H-pyrazine-3-carbonyl)amino]acetate
SMILESCOC(=O)CN(C)C(=O)c1c[nH]c(=O)cn1
InChIInChI=1S/C9H11N3O4/c1-12(5-8(14)16-2)9(15)6-3-11-7(13)4-10-6/h3-4H,5H2,1-2H3,(H,11,13)
InChIKeyJCPCWVZHHLVPKZ-UHFFFAOYSA-N
XLogP-0.99
TPSA92.36 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500225.20
LogP ≤ 5-0.99
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

2-[(6-oxo-1H-pyrazine-3-carbonyl)-(2,2,2-trifluoroethyl)amino]acetic acid
CID 79258463
Methyl 1-acetyl-1,4,5,6-tetrahydropyrazine-2-carboxylate
CID 15508342
Methyl 2-[2-(methylideneamino)prop-2-enoylamino]acetate
CID 123443598
methyl 2-[[(E)-2-amino-3-(ethylideneamino)prop-2-enoyl]amino]acetate
CID 170789910
2-[(6-oxo-1H-pyrazine-3-carbonyl)amino]acetic acid
CID 28789420
(2R)-2-[(6-oxo-1H-pyrazine-3-carbonyl)amino]propanoic acid
CID 28789556
(2S)-2-[(6-oxo-1H-pyrazine-3-carbonyl)amino]propanoic acid
CID 28789558
2-[methyl-(6-oxo-1H-pyrazine-3-carbonyl)amino]acetic acid
CID 28789977
2-[(6-oxo-1H-pyrazine-3-carbonyl)amino]propanoic acid
CID 43211062
2-[[2-[(6-oxo-1H-pyrazine-3-carbonyl)amino]acetyl]amino]acetic acid
CID 43465507
2-[4-(6-oxo-1H-pyrazine-3-carbonyl)piperazin-1-yl]acetic acid
CID 43521411
methyl 3-methyl-2-[(6-oxo-1H-pyrazine-3-carbonyl)amino]butanoate
CID 43623191

Frequently Asked Questions

What is the IUPAC name of methyl 2-[methyl-(6-oxo-1H-pyrazine-3-carbonyl)amino]acetate?
The IUPAC name of methyl 2-[methyl-(6-oxo-1H-pyrazine-3-carbonyl)amino]acetate (CID 43623356) is methyl 2-[methyl-(6-oxo-1H-pyrazine-3-carbonyl)amino]acetate.
What is the SMILES notation for methyl 2-[methyl-(6-oxo-1H-pyrazine-3-carbonyl)amino]acetate?
The canonical SMILES for methyl 2-[methyl-(6-oxo-1H-pyrazine-3-carbonyl)amino]acetate is COC(=O)CN(C)C(=O)c1c[nH]c(=O)cn1.
What is the InChIKey of methyl 2-[methyl-(6-oxo-1H-pyrazine-3-carbonyl)amino]acetate?
The InChIKey is JCPCWVZHHLVPKZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H11N3O4/c1-12(5-8(14)16-2)9(15)6-3-11-7(13)4-10-6/h3-4H,5H2,1-2H3,(H,11,13).
What are the key properties of methyl 2-[methyl-(6-oxo-1H-pyrazine-3-carbonyl)amino]acetate?
methyl 2-[methyl-(6-oxo-1H-pyrazine-3-carbonyl)amino]acetate has a molecular weight of 225.20 g/mol, XLogP of -0.99, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 2-[methyl-(6-oxo-1H-pyrazine-3-carbonyl)amino]acetate is sourced from PubChem (CID 43623356), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).