2-[[2-[(6-oxo-1H-pyrazine-3-carbonyl)amino]acetyl]amino]acetic acid

C9H10N4O5 — CID 43465507

IUPAC2-[[2-[(6-oxo-1H-pyrazine-3-carbonyl)amino]acetyl]amino]acetic acid
SMILESO=C(O)CNC(=O)CNC(=O)c1c[nH]c(=O)cn1
InChIInChI=1S/C9H10N4O5/c14-6-2-10-5(1-11-6)9(18)13-3-7(15)12-4-8(16)17/h1-2H,3-4H2,(H,11,14)(H,12,15)(H,13,18)(H,16,17)
InChIKeyJOYUTXJLWGRCEF-UHFFFAOYSA-N
MW254.20 g/mol
LogP-2.30
Rot. Bonds5

About 2-[[2-[(6-oxo-1H-pyrazine-3-carbonyl)amino]acetyl]amino]acetic acid

2-[[2-[(6-oxo-1H-pyrazine-3-carbonyl)amino]acetyl]amino]acetic acid (PubChem CID 43465507) has the molecular formula C9H10N4O5 and a molecular weight of 254.20 g/mol. Its IUPAC name is 2-[[2-[(6-oxo-1H-pyrazine-3-carbonyl)amino]acetyl]amino]acetic acid.

Molecular Properties

Compound Name2-[[2-[(6-oxo-1H-pyrazine-3-carbonyl)amino]acetyl]amino]acetic acid
PubChem CID43465507
Molecular FormulaC9H10N4O5
Molecular Weight254.20 g/mol
Exact Mass254.07
IUPAC Name2-[[2-[(6-oxo-1H-pyrazine-3-carbonyl)amino]acetyl]amino]acetic acid
SMILESO=C(O)CNC(=O)CNC(=O)c1c[nH]c(=O)cn1
InChIInChI=1S/C9H10N4O5/c14-6-2-10-5(1-11-6)9(18)13-3-7(15)12-4-8(16)17/h1-2H,3-4H2,(H,11,14)(H,12,15)(H,13,18)(H,16,17)
InChIKeyJOYUTXJLWGRCEF-UHFFFAOYSA-N
XLogP-2.30
TPSA141.25 Ų
H-Bond Donors4
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500254.20
LogP ≤ 5-2.30
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 2-[[2-[(6-oxo-1H-pyrazine-3-carbonyl)amino]acetyl]amino]acetic acid?
The IUPAC name of 2-[[2-[(6-oxo-1H-pyrazine-3-carbonyl)amino]acetyl]amino]acetic acid (CID 43465507) is 2-[[2-[(6-oxo-1H-pyrazine-3-carbonyl)amino]acetyl]amino]acetic acid.
What is the SMILES notation for 2-[[2-[(6-oxo-1H-pyrazine-3-carbonyl)amino]acetyl]amino]acetic acid?
The canonical SMILES for 2-[[2-[(6-oxo-1H-pyrazine-3-carbonyl)amino]acetyl]amino]acetic acid is O=C(O)CNC(=O)CNC(=O)c1c[nH]c(=O)cn1.
What is the InChIKey of 2-[[2-[(6-oxo-1H-pyrazine-3-carbonyl)amino]acetyl]amino]acetic acid?
The InChIKey is JOYUTXJLWGRCEF-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H10N4O5/c14-6-2-10-5(1-11-6)9(18)13-3-7(15)12-4-8(16)17/h1-2H,3-4H2,(H,11,14)(H,12,15)(H,13,18)(H,16,17).
What are the key properties of 2-[[2-[(6-oxo-1H-pyrazine-3-carbonyl)amino]acetyl]amino]acetic acid?
2-[[2-[(6-oxo-1H-pyrazine-3-carbonyl)amino]acetyl]amino]acetic acid has a molecular weight of 254.20 g/mol, XLogP of -2.30, 5 rotatable bonds, 4 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[2-[(6-oxo-1H-pyrazine-3-carbonyl)amino]acetyl]amino]acetic acid is sourced from PubChem (CID 43465507), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).