methyl 3-methyl-2-[(6-oxo-1H-pyrazine-3-carbonyl)amino]butanoate

C11H15N3O4 — CID 43623191

IUPACmethyl 3-methyl-2-[(6-oxo-1H-pyrazine-3-carbonyl)amino]butanoate
SMILESCOC(=O)C(NC(=O)c1c[nH]c(=O)cn1)C(C)C
InChIInChI=1S/C11H15N3O4/c1-6(2)9(11(17)18-3)14-10(16)7-4-13-8(15)5-12-7/h4-6,9H,1-3H3,(H,13,15)(H,14,16)
InChIKeyDSCSOWHBKXKPHQ-UHFFFAOYSA-N
MW253.26 g/mol
LogP-0.30
Rot. Bonds4

About methyl 3-methyl-2-[(6-oxo-1H-pyrazine-3-carbonyl)amino]butanoate

methyl 3-methyl-2-[(6-oxo-1H-pyrazine-3-carbonyl)amino]butanoate (PubChem CID 43623191) has the molecular formula C11H15N3O4 and a molecular weight of 253.26 g/mol. Its IUPAC name is methyl 3-methyl-2-[(6-oxo-1H-pyrazine-3-carbonyl)amino]butanoate.

Molecular Properties

Compound Namemethyl 3-methyl-2-[(6-oxo-1H-pyrazine-3-carbonyl)amino]butanoate
PubChem CID43623191
Molecular FormulaC11H15N3O4
Molecular Weight253.26 g/mol
Exact Mass253.11
IUPAC Namemethyl 3-methyl-2-[(6-oxo-1H-pyrazine-3-carbonyl)amino]butanoate
SMILESCOC(=O)C(NC(=O)c1c[nH]c(=O)cn1)C(C)C
InChIInChI=1S/C11H15N3O4/c1-6(2)9(11(17)18-3)14-10(16)7-4-13-8(15)5-12-7/h4-6,9H,1-3H3,(H,13,15)(H,14,16)
InChIKeyDSCSOWHBKXKPHQ-UHFFFAOYSA-N
XLogP-0.30
TPSA101.15 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500253.26
LogP ≤ 5-0.30
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of methyl 3-methyl-2-[(6-oxo-1H-pyrazine-3-carbonyl)amino]butanoate?
The IUPAC name of methyl 3-methyl-2-[(6-oxo-1H-pyrazine-3-carbonyl)amino]butanoate (CID 43623191) is methyl 3-methyl-2-[(6-oxo-1H-pyrazine-3-carbonyl)amino]butanoate.
What is the SMILES notation for methyl 3-methyl-2-[(6-oxo-1H-pyrazine-3-carbonyl)amino]butanoate?
The canonical SMILES for methyl 3-methyl-2-[(6-oxo-1H-pyrazine-3-carbonyl)amino]butanoate is COC(=O)C(NC(=O)c1c[nH]c(=O)cn1)C(C)C.
What is the InChIKey of methyl 3-methyl-2-[(6-oxo-1H-pyrazine-3-carbonyl)amino]butanoate?
The InChIKey is DSCSOWHBKXKPHQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H15N3O4/c1-6(2)9(11(17)18-3)14-10(16)7-4-13-8(15)5-12-7/h4-6,9H,1-3H3,(H,13,15)(H,14,16).
What are the key properties of methyl 3-methyl-2-[(6-oxo-1H-pyrazine-3-carbonyl)amino]butanoate?
methyl 3-methyl-2-[(6-oxo-1H-pyrazine-3-carbonyl)amino]butanoate has a molecular weight of 253.26 g/mol, XLogP of -0.30, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 3-methyl-2-[(6-oxo-1H-pyrazine-3-carbonyl)amino]butanoate is sourced from PubChem (CID 43623191), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).