methyl 2-[(2-oxo-1H-pyrazin-3-yl)-propan-2-ylamino]acetate

C10H15N3O3 — CID 114571206

IUPACmethyl 2-[(2-oxo-1H-pyrazin-3-yl)-propan-2-ylamino]acetate
SMILESCOC(=O)CN(c1ncc[nH]c1=O)C(C)C
InChIInChI=1S/C10H15N3O3/c1-7(2)13(6-8(14)16-3)9-10(15)12-5-4-11-9/h4-5,7H,6H2,1-3H3,(H,12,15)
InChIKeyFBEOVNQHTRZNGX-UHFFFAOYSA-N
MW225.25 g/mol
LogP0.16
Rot. Bonds4

About methyl 2-[(2-oxo-1H-pyrazin-3-yl)-propan-2-ylamino]acetate

methyl 2-[(2-oxo-1H-pyrazin-3-yl)-propan-2-ylamino]acetate (PubChem CID 114571206) has the molecular formula C10H15N3O3 and a molecular weight of 225.25 g/mol. Its IUPAC name is methyl 2-[(2-oxo-1H-pyrazin-3-yl)-propan-2-ylamino]acetate.

Molecular Properties

Compound Namemethyl 2-[(2-oxo-1H-pyrazin-3-yl)-propan-2-ylamino]acetate
PubChem CID114571206
Molecular FormulaC10H15N3O3
Molecular Weight225.25 g/mol
Exact Mass225.11
IUPAC Namemethyl 2-[(2-oxo-1H-pyrazin-3-yl)-propan-2-ylamino]acetate
SMILESCOC(=O)CN(c1ncc[nH]c1=O)C(C)C
InChIInChI=1S/C10H15N3O3/c1-7(2)13(6-8(14)16-3)9-10(15)12-5-4-11-9/h4-5,7H,6H2,1-3H3,(H,12,15)
InChIKeyFBEOVNQHTRZNGX-UHFFFAOYSA-N
XLogP0.16
TPSA75.29 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500225.25
LogP ≤ 50.16
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

methyl 2-[(3-oxo-4-propylpyrazin-2-yl)-propan-2-ylamino]acetate
CID 62929048
methyl 3-[(2-oxo-1H-pyrazin-3-yl)sulfanyl]butanoate
CID 114570709
3-[piperidin-2-ylmethyl(propan-2-yl)amino]-1H-pyrazin-2-one
CID 106641472
methyl 2-[propan-2-yl(pyridin-4-yl)amino]acetate
CID 62006867
methyl 2-[propan-2-yl(quinazolin-4-yl)amino]acetate
CID 62006483
3-[2-methoxyethyl(methyl)amino]-1H-pyrazin-2-one
CID 115657141
ethyl 2-[cyclopropyl-(2-oxo-1H-pyrazin-3-yl)amino]acetate
CID 114571207
3-[1-aminopropan-2-yl(methyl)amino]-1H-pyrazin-2-one
CID 114571498
methyl 2-[(4-cyanopyrimidin-2-yl)-propan-2-ylamino]acetate
CID 107544124
3-[2,2-difluoroethyl(methyl)amino]-1H-pyrazin-2-one
CID 114570348
2-[(2-oxo-1H-pyrazin-3-yl)amino]-N-propan-2-ylacetamide
CID 115650193
3-[ethyl(2-methoxyethyl)amino]-1H-pyrazin-2-one
CID 115657183

Frequently Asked Questions

What is the IUPAC name of methyl 2-[(2-oxo-1H-pyrazin-3-yl)-propan-2-ylamino]acetate?
The IUPAC name of methyl 2-[(2-oxo-1H-pyrazin-3-yl)-propan-2-ylamino]acetate (CID 114571206) is methyl 2-[(2-oxo-1H-pyrazin-3-yl)-propan-2-ylamino]acetate.
What is the SMILES notation for methyl 2-[(2-oxo-1H-pyrazin-3-yl)-propan-2-ylamino]acetate?
The canonical SMILES for methyl 2-[(2-oxo-1H-pyrazin-3-yl)-propan-2-ylamino]acetate is COC(=O)CN(c1ncc[nH]c1=O)C(C)C.
What is the InChIKey of methyl 2-[(2-oxo-1H-pyrazin-3-yl)-propan-2-ylamino]acetate?
The InChIKey is FBEOVNQHTRZNGX-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H15N3O3/c1-7(2)13(6-8(14)16-3)9-10(15)12-5-4-11-9/h4-5,7H,6H2,1-3H3,(H,12,15).
What are the key properties of methyl 2-[(2-oxo-1H-pyrazin-3-yl)-propan-2-ylamino]acetate?
methyl 2-[(2-oxo-1H-pyrazin-3-yl)-propan-2-ylamino]acetate has a molecular weight of 225.25 g/mol, XLogP of 0.16, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 2-[(2-oxo-1H-pyrazin-3-yl)-propan-2-ylamino]acetate is sourced from PubChem (CID 114571206), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).