methyl 2-[(6-oxo-1H-pyrazine-3-carbonyl)-propylamino]acetate

C11H15N3O4 — CID 55005717

IUPACmethyl 2-[(6-oxo-1H-pyrazine-3-carbonyl)-propylamino]acetate
SMILESCCCN(CC(=O)OC)C(=O)c1c[nH]c(=O)cn1
InChIInChI=1S/C11H15N3O4/c1-3-4-14(7-10(16)18-2)11(17)8-5-13-9(15)6-12-8/h5-6H,3-4,7H2,1-2H3,(H,13,15)
InChIKeyJINNCDZOTDCQFC-UHFFFAOYSA-N
MW253.26 g/mol
LogP-0.20
Rot. Bonds5

About methyl 2-[(6-oxo-1H-pyrazine-3-carbonyl)-propylamino]acetate

methyl 2-[(6-oxo-1H-pyrazine-3-carbonyl)-propylamino]acetate (PubChem CID 55005717) has the molecular formula C11H15N3O4 and a molecular weight of 253.26 g/mol. Its IUPAC name is methyl 2-[(6-oxo-1H-pyrazine-3-carbonyl)-propylamino]acetate.

Molecular Properties

Compound Namemethyl 2-[(6-oxo-1H-pyrazine-3-carbonyl)-propylamino]acetate
PubChem CID55005717
Molecular FormulaC11H15N3O4
Molecular Weight253.26 g/mol
Exact Mass253.11
IUPAC Namemethyl 2-[(6-oxo-1H-pyrazine-3-carbonyl)-propylamino]acetate
SMILESCCCN(CC(=O)OC)C(=O)c1c[nH]c(=O)cn1
InChIInChI=1S/C11H15N3O4/c1-3-4-14(7-10(16)18-2)11(17)8-5-13-9(15)6-12-8/h5-6H,3-4,7H2,1-2H3,(H,13,15)
InChIKeyJINNCDZOTDCQFC-UHFFFAOYSA-N
XLogP-0.20
TPSA92.36 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500253.26
LogP ≤ 5-0.20
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of methyl 2-[(6-oxo-1H-pyrazine-3-carbonyl)-propylamino]acetate?
The IUPAC name of methyl 2-[(6-oxo-1H-pyrazine-3-carbonyl)-propylamino]acetate (CID 55005717) is methyl 2-[(6-oxo-1H-pyrazine-3-carbonyl)-propylamino]acetate.
What is the SMILES notation for methyl 2-[(6-oxo-1H-pyrazine-3-carbonyl)-propylamino]acetate?
The canonical SMILES for methyl 2-[(6-oxo-1H-pyrazine-3-carbonyl)-propylamino]acetate is CCCN(CC(=O)OC)C(=O)c1c[nH]c(=O)cn1.
What is the InChIKey of methyl 2-[(6-oxo-1H-pyrazine-3-carbonyl)-propylamino]acetate?
The InChIKey is JINNCDZOTDCQFC-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H15N3O4/c1-3-4-14(7-10(16)18-2)11(17)8-5-13-9(15)6-12-8/h5-6H,3-4,7H2,1-2H3,(H,13,15).
What are the key properties of methyl 2-[(6-oxo-1H-pyrazine-3-carbonyl)-propylamino]acetate?
methyl 2-[(6-oxo-1H-pyrazine-3-carbonyl)-propylamino]acetate has a molecular weight of 253.26 g/mol, XLogP of -0.20, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 2-[(6-oxo-1H-pyrazine-3-carbonyl)-propylamino]acetate is sourced from PubChem (CID 55005717), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).