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

C8H9N3O4 — CID 43623303

IUPACmethyl 2-[(6-oxo-1H-pyrazine-3-carbonyl)amino]acetate
SMILESCOC(=O)CNC(=O)c1c[nH]c(=O)cn1
InChIInChI=1S/C8H9N3O4/c1-15-7(13)4-11-8(14)5-2-10-6(12)3-9-5/h2-3H,4H2,1H3,(H,10,12)(H,11,14)
InChIKeyNTRKJNDCVVMUHD-UHFFFAOYSA-N
MW211.18 g/mol
LogP-1.33
Rot. Bonds3

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

methyl 2-[(6-oxo-1H-pyrazine-3-carbonyl)amino]acetate (PubChem CID 43623303) has the molecular formula C8H9N3O4 and a molecular weight of 211.18 g/mol. Its IUPAC name is methyl 2-[(6-oxo-1H-pyrazine-3-carbonyl)amino]acetate.

Molecular Properties

Compound Namemethyl 2-[(6-oxo-1H-pyrazine-3-carbonyl)amino]acetate
PubChem CID43623303
Molecular FormulaC8H9N3O4
Molecular Weight211.18 g/mol
Exact Mass211.06
IUPAC Namemethyl 2-[(6-oxo-1H-pyrazine-3-carbonyl)amino]acetate
SMILESCOC(=O)CNC(=O)c1c[nH]c(=O)cn1
InChIInChI=1S/C8H9N3O4/c1-15-7(13)4-11-8(14)5-2-10-6(12)3-9-5/h2-3H,4H2,1H3,(H,10,12)(H,11,14)
InChIKeyNTRKJNDCVVMUHD-UHFFFAOYSA-N
XLogP-1.33
TPSA101.15 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500211.18
LogP ≤ 5-1.33
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

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
methyl 3-methyl-2-[(6-oxo-1H-pyrazine-3-carbonyl)amino]butanoate
CID 43623191
methyl 2-[methyl-(6-oxo-1H-pyrazine-3-carbonyl)amino]acetate
CID 43623356
methyl 3-hydroxy-2-[(6-oxo-1H-pyrazine-3-carbonyl)amino]propanoate
CID 43623544
diethyl 2-[(6-oxo-1H-pyrazine-3-carbonyl)amino]propanedioate
CID 43623779

Frequently Asked Questions

What is the IUPAC name of methyl 2-[(6-oxo-1H-pyrazine-3-carbonyl)amino]acetate?
The IUPAC name of methyl 2-[(6-oxo-1H-pyrazine-3-carbonyl)amino]acetate (CID 43623303) is methyl 2-[(6-oxo-1H-pyrazine-3-carbonyl)amino]acetate.
What is the SMILES notation for methyl 2-[(6-oxo-1H-pyrazine-3-carbonyl)amino]acetate?
The canonical SMILES for methyl 2-[(6-oxo-1H-pyrazine-3-carbonyl)amino]acetate is COC(=O)CNC(=O)c1c[nH]c(=O)cn1.
What is the InChIKey of methyl 2-[(6-oxo-1H-pyrazine-3-carbonyl)amino]acetate?
The InChIKey is NTRKJNDCVVMUHD-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H9N3O4/c1-15-7(13)4-11-8(14)5-2-10-6(12)3-9-5/h2-3H,4H2,1H3,(H,10,12)(H,11,14).
What are the key properties of methyl 2-[(6-oxo-1H-pyrazine-3-carbonyl)amino]acetate?
methyl 2-[(6-oxo-1H-pyrazine-3-carbonyl)amino]acetate has a molecular weight of 211.18 g/mol, XLogP of -1.33, 3 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 2-[(6-oxo-1H-pyrazine-3-carbonyl)amino]acetate is sourced from PubChem (CID 43623303), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).