methyl 3-hydroxy-2-[(2-oxo-1H-pyrazin-3-yl)amino]propanoate

C8H11N3O4 — CID 114571199

IUPACmethyl 3-hydroxy-2-[(2-oxo-1H-pyrazin-3-yl)amino]propanoate
SMILESCOC(=O)C(CO)Nc1ncc[nH]c1=O
InChIInChI=1S/C8H11N3O4/c1-15-8(14)5(4-12)11-6-7(13)10-3-2-9-6/h2-3,5,12H,4H2,1H3,(H,9,11)(H,10,13)
InChIKeyAZXBVCNIPHHATP-UHFFFAOYSA-N
MW213.19 g/mol
LogP-1.28
Rot. Bonds4

About methyl 3-hydroxy-2-[(2-oxo-1H-pyrazin-3-yl)amino]propanoate

methyl 3-hydroxy-2-[(2-oxo-1H-pyrazin-3-yl)amino]propanoate (PubChem CID 114571199) has the molecular formula C8H11N3O4 and a molecular weight of 213.19 g/mol. Its IUPAC name is methyl 3-hydroxy-2-[(2-oxo-1H-pyrazin-3-yl)amino]propanoate.

Molecular Properties

Compound Namemethyl 3-hydroxy-2-[(2-oxo-1H-pyrazin-3-yl)amino]propanoate
PubChem CID114571199
Molecular FormulaC8H11N3O4
Molecular Weight213.19 g/mol
Exact Mass213.07
IUPAC Namemethyl 3-hydroxy-2-[(2-oxo-1H-pyrazin-3-yl)amino]propanoate
SMILESCOC(=O)C(CO)Nc1ncc[nH]c1=O
InChIInChI=1S/C8H11N3O4/c1-15-8(14)5(4-12)11-6-7(13)10-3-2-9-6/h2-3,5,12H,4H2,1H3,(H,9,11)(H,10,13)
InChIKeyAZXBVCNIPHHATP-UHFFFAOYSA-N
XLogP-1.28
TPSA104.31 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500213.19
LogP ≤ 5-1.28
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of methyl 3-hydroxy-2-[(2-oxo-1H-pyrazin-3-yl)amino]propanoate?
The IUPAC name of methyl 3-hydroxy-2-[(2-oxo-1H-pyrazin-3-yl)amino]propanoate (CID 114571199) is methyl 3-hydroxy-2-[(2-oxo-1H-pyrazin-3-yl)amino]propanoate.
What is the SMILES notation for methyl 3-hydroxy-2-[(2-oxo-1H-pyrazin-3-yl)amino]propanoate?
The canonical SMILES for methyl 3-hydroxy-2-[(2-oxo-1H-pyrazin-3-yl)amino]propanoate is COC(=O)C(CO)Nc1ncc[nH]c1=O.
What is the InChIKey of methyl 3-hydroxy-2-[(2-oxo-1H-pyrazin-3-yl)amino]propanoate?
The InChIKey is AZXBVCNIPHHATP-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H11N3O4/c1-15-8(14)5(4-12)11-6-7(13)10-3-2-9-6/h2-3,5,12H,4H2,1H3,(H,9,11)(H,10,13).
What are the key properties of methyl 3-hydroxy-2-[(2-oxo-1H-pyrazin-3-yl)amino]propanoate?
methyl 3-hydroxy-2-[(2-oxo-1H-pyrazin-3-yl)amino]propanoate has a molecular weight of 213.19 g/mol, XLogP of -1.28, 4 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 3-hydroxy-2-[(2-oxo-1H-pyrazin-3-yl)amino]propanoate is sourced from PubChem (CID 114571199), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).