2-[(2-methoxy-2-oxoethyl)-pyrazin-2-ylamino]acetic acid

C9H11N3O4 — CID 59772142

IUPAC2-[(2-methoxy-2-oxoethyl)-pyrazin-2-ylamino]acetic acid
SMILESCOC(=O)CN(CC(=O)O)c1cnccn1
InChIInChI=1S/C9H11N3O4/c1-16-9(15)6-12(5-8(13)14)7-4-10-2-3-11-7/h2-4H,5-6H2,1H3,(H,13,14)
InChIKeyMHIMXEBXOMPHQF-UHFFFAOYSA-N
MW225.20 g/mol
LogP-0.46
Rot. Bonds5

About 2-[(2-methoxy-2-oxoethyl)-pyrazin-2-ylamino]acetic acid

2-[(2-methoxy-2-oxoethyl)-pyrazin-2-ylamino]acetic acid (PubChem CID 59772142) has the molecular formula C9H11N3O4 and a molecular weight of 225.20 g/mol. Its IUPAC name is 2-[(2-methoxy-2-oxoethyl)-pyrazin-2-ylamino]acetic acid.

Molecular Properties

Compound Name2-[(2-methoxy-2-oxoethyl)-pyrazin-2-ylamino]acetic acid
PubChem CID59772142
Molecular FormulaC9H11N3O4
Molecular Weight225.20 g/mol
Exact Mass225.07
IUPAC Name2-[(2-methoxy-2-oxoethyl)-pyrazin-2-ylamino]acetic acid
SMILESCOC(=O)CN(CC(=O)O)c1cnccn1
InChIInChI=1S/C9H11N3O4/c1-16-9(15)6-12(5-8(13)14)7-4-10-2-3-11-7/h2-4H,5-6H2,1H3,(H,13,14)
InChIKeyMHIMXEBXOMPHQF-UHFFFAOYSA-N
XLogP-0.46
TPSA92.62 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500225.20
LogP ≤ 5-0.46
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 2-[(2-methoxy-2-oxoethyl)-pyrazin-2-ylamino]acetic acid?
The IUPAC name of 2-[(2-methoxy-2-oxoethyl)-pyrazin-2-ylamino]acetic acid (CID 59772142) is 2-[(2-methoxy-2-oxoethyl)-pyrazin-2-ylamino]acetic acid.
What is the SMILES notation for 2-[(2-methoxy-2-oxoethyl)-pyrazin-2-ylamino]acetic acid?
The canonical SMILES for 2-[(2-methoxy-2-oxoethyl)-pyrazin-2-ylamino]acetic acid is COC(=O)CN(CC(=O)O)c1cnccn1.
What is the InChIKey of 2-[(2-methoxy-2-oxoethyl)-pyrazin-2-ylamino]acetic acid?
The InChIKey is MHIMXEBXOMPHQF-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H11N3O4/c1-16-9(15)6-12(5-8(13)14)7-4-10-2-3-11-7/h2-4H,5-6H2,1H3,(H,13,14).
What are the key properties of 2-[(2-methoxy-2-oxoethyl)-pyrazin-2-ylamino]acetic acid?
2-[(2-methoxy-2-oxoethyl)-pyrazin-2-ylamino]acetic acid has a molecular weight of 225.20 g/mol, XLogP of -0.46, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(2-methoxy-2-oxoethyl)-pyrazin-2-ylamino]acetic acid is sourced from PubChem (CID 59772142), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).