methyl 4-methyl-2-[(6-oxo-1H-pyrazine-3-carbonyl)amino]pentanoate

C12H17N3O4 — CID 43623219

IUPACmethyl 4-methyl-2-[(6-oxo-1H-pyrazine-3-carbonyl)amino]pentanoate
SMILESCOC(=O)C(CC(C)C)NC(=O)c1c[nH]c(=O)cn1
InChIInChI=1S/C12H17N3O4/c1-7(2)4-8(12(18)19-3)15-11(17)9-5-14-10(16)6-13-9/h5-8H,4H2,1-3H3,(H,14,16)(H,15,17)
InChIKeyRCAOBOPSSOVXSX-UHFFFAOYSA-N
MW267.28 g/mol
LogP0.09
Rot. Bonds5

About methyl 4-methyl-2-[(6-oxo-1H-pyrazine-3-carbonyl)amino]pentanoate

methyl 4-methyl-2-[(6-oxo-1H-pyrazine-3-carbonyl)amino]pentanoate (PubChem CID 43623219) has the molecular formula C12H17N3O4 and a molecular weight of 267.28 g/mol. Its IUPAC name is methyl 4-methyl-2-[(6-oxo-1H-pyrazine-3-carbonyl)amino]pentanoate.

Molecular Properties

Compound Namemethyl 4-methyl-2-[(6-oxo-1H-pyrazine-3-carbonyl)amino]pentanoate
PubChem CID43623219
Molecular FormulaC12H17N3O4
Molecular Weight267.28 g/mol
Exact Mass267.12
IUPAC Namemethyl 4-methyl-2-[(6-oxo-1H-pyrazine-3-carbonyl)amino]pentanoate
SMILESCOC(=O)C(CC(C)C)NC(=O)c1c[nH]c(=O)cn1
InChIInChI=1S/C12H17N3O4/c1-7(2)4-8(12(18)19-3)15-11(17)9-5-14-10(16)6-13-9/h5-8H,4H2,1-3H3,(H,14,16)(H,15,17)
InChIKeyRCAOBOPSSOVXSX-UHFFFAOYSA-N
XLogP0.09
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 ≤ 50.09
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Analyze methyl 4-methyl-2-[(6-oxo-1H-pyrazine-3-carbonyl)amino]pentanoate with MolForge

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Related Compounds

(2R)-4-methyl-2-[(6-oxo-1H-pyrazine-3-carbonyl)amino]pentanoic acid
CID 28788867
(2S)-4-methyl-2-[(6-oxo-1H-pyrazine-3-carbonyl)amino]pentanoic acid
CID 28788869
(2R)-3-methyl-2-[(6-oxo-1H-pyrazine-3-carbonyl)amino]butanoic acid
CID 28789250
(2S)-3-methyl-2-[(6-oxo-1H-pyrazine-3-carbonyl)amino]butanoic acid
CID 28789252
(2S,3S)-3-methyl-2-[(6-oxo-1H-pyrazine-3-carbonyl)amino]pentanoic acid
CID 28790018
4-methyl-2-[(6-oxo-1H-pyrazine-3-carbonyl)amino]pentanoic acid
CID 43210965
3-methyl-2-[(6-oxo-1H-pyrazine-3-carbonyl)amino]butanoic acid
CID 43211028
3-methyl-2-[(6-oxo-1H-pyrazine-3-carbonyl)amino]pentanoic acid
CID 43211126
2-cyclopropyl-2-[(6-oxo-1H-pyrazine-3-carbonyl)amino]propanoic acid
CID 43341230
Methyl 4-methyl-2-[(2-oxo-1,3-dihydroimidazole-4-carbonyl)amino]pentanoate
CID 43407271
2-methyl-2-[(6-oxo-1H-pyrazine-3-carbonyl)amino]pentanoic acid
CID 43619103
methyl 3-methyl-2-[(6-oxo-1H-pyrazine-3-carbonyl)amino]butanoate
CID 43623191

Frequently Asked Questions

What is the IUPAC name of methyl 4-methyl-2-[(6-oxo-1H-pyrazine-3-carbonyl)amino]pentanoate?
The IUPAC name of methyl 4-methyl-2-[(6-oxo-1H-pyrazine-3-carbonyl)amino]pentanoate (CID 43623219) is methyl 4-methyl-2-[(6-oxo-1H-pyrazine-3-carbonyl)amino]pentanoate.
What is the SMILES notation for methyl 4-methyl-2-[(6-oxo-1H-pyrazine-3-carbonyl)amino]pentanoate?
The canonical SMILES for methyl 4-methyl-2-[(6-oxo-1H-pyrazine-3-carbonyl)amino]pentanoate is COC(=O)C(CC(C)C)NC(=O)c1c[nH]c(=O)cn1.
What is the InChIKey of methyl 4-methyl-2-[(6-oxo-1H-pyrazine-3-carbonyl)amino]pentanoate?
The InChIKey is RCAOBOPSSOVXSX-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H17N3O4/c1-7(2)4-8(12(18)19-3)15-11(17)9-5-14-10(16)6-13-9/h5-8H,4H2,1-3H3,(H,14,16)(H,15,17).
What are the key properties of methyl 4-methyl-2-[(6-oxo-1H-pyrazine-3-carbonyl)amino]pentanoate?
methyl 4-methyl-2-[(6-oxo-1H-pyrazine-3-carbonyl)amino]pentanoate has a molecular weight of 267.28 g/mol, XLogP of 0.09, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 4-methyl-2-[(6-oxo-1H-pyrazine-3-carbonyl)amino]pentanoate is sourced from PubChem (CID 43623219), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).