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

C12H17N3O4 — CID 43623972

IUPACmethyl 2-methyl-2-[(6-oxo-1H-pyrazine-3-carbonyl)amino]pentanoate
SMILESCCCC(C)(NC(=O)c1c[nH]c(=O)cn1)C(=O)OC
InChIInChI=1S/C12H17N3O4/c1-4-5-12(2,11(18)19-3)15-10(17)8-6-14-9(16)7-13-8/h6-7H,4-5H2,1-3H3,(H,14,16)(H,15,17)
InChIKeyFIUNEDZSFLEHCB-UHFFFAOYSA-N
MW267.28 g/mol
LogP0.23
Rot. Bonds5

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

methyl 2-methyl-2-[(6-oxo-1H-pyrazine-3-carbonyl)amino]pentanoate (PubChem CID 43623972) has the molecular formula C12H17N3O4 and a molecular weight of 267.28 g/mol. Its IUPAC name is methyl 2-methyl-2-[(6-oxo-1H-pyrazine-3-carbonyl)amino]pentanoate.

Molecular Properties

Compound Namemethyl 2-methyl-2-[(6-oxo-1H-pyrazine-3-carbonyl)amino]pentanoate
PubChem CID43623972
Molecular FormulaC12H17N3O4
Molecular Weight267.28 g/mol
Exact Mass267.12
IUPAC Namemethyl 2-methyl-2-[(6-oxo-1H-pyrazine-3-carbonyl)amino]pentanoate
SMILESCCCC(C)(NC(=O)c1c[nH]c(=O)cn1)C(=O)OC
InChIInChI=1S/C12H17N3O4/c1-4-5-12(2,11(18)19-3)15-10(17)8-6-14-9(16)7-13-8/h6-7H,4-5H2,1-3H3,(H,14,16)(H,15,17)
InChIKeyFIUNEDZSFLEHCB-UHFFFAOYSA-N
XLogP0.23
TPSA101.15 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500267.28
LogP ≤ 50.23
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of methyl 2-methyl-2-[(6-oxo-1H-pyrazine-3-carbonyl)amino]pentanoate?
The IUPAC name of methyl 2-methyl-2-[(6-oxo-1H-pyrazine-3-carbonyl)amino]pentanoate (CID 43623972) is methyl 2-methyl-2-[(6-oxo-1H-pyrazine-3-carbonyl)amino]pentanoate.
What is the SMILES notation for methyl 2-methyl-2-[(6-oxo-1H-pyrazine-3-carbonyl)amino]pentanoate?
The canonical SMILES for methyl 2-methyl-2-[(6-oxo-1H-pyrazine-3-carbonyl)amino]pentanoate is CCCC(C)(NC(=O)c1c[nH]c(=O)cn1)C(=O)OC.
What is the InChIKey of methyl 2-methyl-2-[(6-oxo-1H-pyrazine-3-carbonyl)amino]pentanoate?
The InChIKey is FIUNEDZSFLEHCB-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H17N3O4/c1-4-5-12(2,11(18)19-3)15-10(17)8-6-14-9(16)7-13-8/h6-7H,4-5H2,1-3H3,(H,14,16)(H,15,17).
What are the key properties of methyl 2-methyl-2-[(6-oxo-1H-pyrazine-3-carbonyl)amino]pentanoate?
methyl 2-methyl-2-[(6-oxo-1H-pyrazine-3-carbonyl)amino]pentanoate has a molecular weight of 267.28 g/mol, XLogP of 0.23, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 2-methyl-2-[(6-oxo-1H-pyrazine-3-carbonyl)amino]pentanoate is sourced from PubChem (CID 43623972), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).