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

C10H15N3O3 — CID 55124926

IUPACmethyl 2-[(4-ethyl-3-oxopyrazin-2-yl)-methylamino]acetate
SMILESCCn1ccnc(N(C)CC(=O)OC)c1=O
InChIInChI=1S/C10H15N3O3/c1-4-13-6-5-11-9(10(13)15)12(2)7-8(14)16-3/h5-6H,4,7H2,1-3H3
InChIKeyMHEYMLNOHFYUFN-UHFFFAOYSA-N
MW225.25 g/mol
LogP-0.13
Rot. Bonds4

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

methyl 2-[(4-ethyl-3-oxopyrazin-2-yl)-methylamino]acetate (PubChem CID 55124926) has the molecular formula C10H15N3O3 and a molecular weight of 225.25 g/mol. Its IUPAC name is methyl 2-[(4-ethyl-3-oxopyrazin-2-yl)-methylamino]acetate.

Molecular Properties

Compound Namemethyl 2-[(4-ethyl-3-oxopyrazin-2-yl)-methylamino]acetate
PubChem CID55124926
Molecular FormulaC10H15N3O3
Molecular Weight225.25 g/mol
Exact Mass225.11
IUPAC Namemethyl 2-[(4-ethyl-3-oxopyrazin-2-yl)-methylamino]acetate
SMILESCCn1ccnc(N(C)CC(=O)OC)c1=O
InChIInChI=1S/C10H15N3O3/c1-4-13-6-5-11-9(10(13)15)12(2)7-8(14)16-3/h5-6H,4,7H2,1-3H3
InChIKeyMHEYMLNOHFYUFN-UHFFFAOYSA-N
XLogP-0.13
TPSA64.43 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500225.25
LogP ≤ 5-0.13
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of methyl 2-[(4-ethyl-3-oxopyrazin-2-yl)-methylamino]acetate?
The IUPAC name of methyl 2-[(4-ethyl-3-oxopyrazin-2-yl)-methylamino]acetate (CID 55124926) is methyl 2-[(4-ethyl-3-oxopyrazin-2-yl)-methylamino]acetate.
What is the SMILES notation for methyl 2-[(4-ethyl-3-oxopyrazin-2-yl)-methylamino]acetate?
The canonical SMILES for methyl 2-[(4-ethyl-3-oxopyrazin-2-yl)-methylamino]acetate is CCn1ccnc(N(C)CC(=O)OC)c1=O.
What is the InChIKey of methyl 2-[(4-ethyl-3-oxopyrazin-2-yl)-methylamino]acetate?
The InChIKey is MHEYMLNOHFYUFN-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H15N3O3/c1-4-13-6-5-11-9(10(13)15)12(2)7-8(14)16-3/h5-6H,4,7H2,1-3H3.
What are the key properties of methyl 2-[(4-ethyl-3-oxopyrazin-2-yl)-methylamino]acetate?
methyl 2-[(4-ethyl-3-oxopyrazin-2-yl)-methylamino]acetate has a molecular weight of 225.25 g/mol, XLogP of -0.13, 4 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)-methylamino]acetate is sourced from PubChem (CID 55124926), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).