methyl 2-[(4-ethyl-3-oxopyrazin-2-yl)-propan-2-ylamino]acetate

C12H19N3O3 — CID 55154895

IUPACmethyl 2-[(4-ethyl-3-oxopyrazin-2-yl)-propan-2-ylamino]acetate
SMILESCCn1ccnc(N(CC(=O)OC)C(C)C)c1=O
InChIInChI=1S/C12H19N3O3/c1-5-14-7-6-13-11(12(14)17)15(9(2)3)8-10(16)18-4/h6-7,9H,5,8H2,1-4H3
InChIKeyVWCPPMYUEXWWSJ-UHFFFAOYSA-N
MW253.30 g/mol
LogP0.65
Rot. Bonds5

About methyl 2-[(4-ethyl-3-oxopyrazin-2-yl)-propan-2-ylamino]acetate

methyl 2-[(4-ethyl-3-oxopyrazin-2-yl)-propan-2-ylamino]acetate (PubChem CID 55154895) has the molecular formula C12H19N3O3 and a molecular weight of 253.30 g/mol. Its IUPAC name is methyl 2-[(4-ethyl-3-oxopyrazin-2-yl)-propan-2-ylamino]acetate.

Molecular Properties

Compound Namemethyl 2-[(4-ethyl-3-oxopyrazin-2-yl)-propan-2-ylamino]acetate
PubChem CID55154895
Molecular FormulaC12H19N3O3
Molecular Weight253.30 g/mol
Exact Mass253.14
IUPAC Namemethyl 2-[(4-ethyl-3-oxopyrazin-2-yl)-propan-2-ylamino]acetate
SMILESCCn1ccnc(N(CC(=O)OC)C(C)C)c1=O
InChIInChI=1S/C12H19N3O3/c1-5-14-7-6-13-11(12(14)17)15(9(2)3)8-10(16)18-4/h6-7,9H,5,8H2,1-4H3
InChIKeyVWCPPMYUEXWWSJ-UHFFFAOYSA-N
XLogP0.65
TPSA64.43 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500253.30
LogP ≤ 50.65
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Related Compounds

3-Morpholin-4-yl-1-propan-2-ylpyrazin-2-one
CID 53015106
2-[(3-Oxo-4-propan-2-ylpyrazin-2-yl)-(2,2,2-trifluoroethyl)amino]acetic acid
CID 79258823
6-bromo-1-methoxycarbonylmethyl-3-(N-isopropylamino)pyrazinone
CID 69896430
2-[Ethyl-(4-ethyl-3-oxopyrazin-2-yl)amino]acetic acid
CID 55124925
Methyl 2-[(4-ethyl-3-oxopyrazin-2-yl)-methylamino]acetate
CID 55124926
2-[2-Methoxyethyl-(4-methyl-3-oxopyrazin-2-yl)amino]acetic acid
CID 55132730
Methyl 2-[methyl-[4-(2-methylpropyl)-3-oxopyrazin-2-yl]amino]acetate
CID 55152856
Ethyl 2-[(4-cyclopropyl-3-oxopyrazin-2-yl)-ethylamino]acetate
CID 55154893
Methyl 3-[ethyl-(3-oxo-4-propylpyrazin-2-yl)amino]propanoate
CID 55154894
2-[Methyl-(3-oxo-4-propylpyrazin-2-yl)amino]propanoic acid
CID 55155060
Methyl 2-[(4-cyclopropyl-3-oxopyrazin-2-yl)-propylamino]acetate
CID 55155089
Ethyl 2-[cyclopropyl-(4-methyl-3-oxopyrazin-2-yl)amino]acetate
CID 55155249

Frequently Asked Questions

What is the IUPAC name of methyl 2-[(4-ethyl-3-oxopyrazin-2-yl)-propan-2-ylamino]acetate?
The IUPAC name of methyl 2-[(4-ethyl-3-oxopyrazin-2-yl)-propan-2-ylamino]acetate (CID 55154895) is methyl 2-[(4-ethyl-3-oxopyrazin-2-yl)-propan-2-ylamino]acetate.
What is the SMILES notation for methyl 2-[(4-ethyl-3-oxopyrazin-2-yl)-propan-2-ylamino]acetate?
The canonical SMILES for methyl 2-[(4-ethyl-3-oxopyrazin-2-yl)-propan-2-ylamino]acetate is CCn1ccnc(N(CC(=O)OC)C(C)C)c1=O.
What is the InChIKey of methyl 2-[(4-ethyl-3-oxopyrazin-2-yl)-propan-2-ylamino]acetate?
The InChIKey is VWCPPMYUEXWWSJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H19N3O3/c1-5-14-7-6-13-11(12(14)17)15(9(2)3)8-10(16)18-4/h6-7,9H,5,8H2,1-4H3.
What are the key properties of methyl 2-[(4-ethyl-3-oxopyrazin-2-yl)-propan-2-ylamino]acetate?
methyl 2-[(4-ethyl-3-oxopyrazin-2-yl)-propan-2-ylamino]acetate has a molecular weight of 253.30 g/mol, XLogP of 0.65, 5 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 2-[(4-ethyl-3-oxopyrazin-2-yl)-propan-2-ylamino]acetate is sourced from PubChem (CID 55154895), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).