methyl 3-methyl-2-[(5-methylpyrazine-2-carbonyl)amino]butanoate

C12H17N3O3 — CID 43407775

IUPACmethyl 3-methyl-2-[(5-methylpyrazine-2-carbonyl)amino]butanoate
SMILESCOC(=O)C(NC(=O)c1cnc(C)cn1)C(C)C
InChIInChI=1S/C12H17N3O3/c1-7(2)10(12(17)18-4)15-11(16)9-6-13-8(3)5-14-9/h5-7,10H,1-4H3,(H,15,16)
InChIKeyDZUMLAQCNITKSJ-UHFFFAOYSA-N
MW251.29 g/mol
LogP0.71
Rot. Bonds4

About methyl 3-methyl-2-[(5-methylpyrazine-2-carbonyl)amino]butanoate

methyl 3-methyl-2-[(5-methylpyrazine-2-carbonyl)amino]butanoate (PubChem CID 43407775) has the molecular formula C12H17N3O3 and a molecular weight of 251.29 g/mol. Its IUPAC name is methyl 3-methyl-2-[(5-methylpyrazine-2-carbonyl)amino]butanoate.

Molecular Properties

Compound Namemethyl 3-methyl-2-[(5-methylpyrazine-2-carbonyl)amino]butanoate
PubChem CID43407775
Molecular FormulaC12H17N3O3
Molecular Weight251.29 g/mol
Exact Mass251.13
IUPAC Namemethyl 3-methyl-2-[(5-methylpyrazine-2-carbonyl)amino]butanoate
SMILESCOC(=O)C(NC(=O)c1cnc(C)cn1)C(C)C
InChIInChI=1S/C12H17N3O3/c1-7(2)10(12(17)18-4)15-11(16)9-6-13-8(3)5-14-9/h5-7,10H,1-4H3,(H,15,16)
InChIKeyDZUMLAQCNITKSJ-UHFFFAOYSA-N
XLogP0.71
TPSA81.18 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500251.29
LogP ≤ 50.71
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

methyl 2-[(5-fluoropyridine-2-carbonyl)amino]-3-methylbutanoate
CID 113415269
tert-butyl (2R)-2-[(5-chloropyrazine-2-carbonyl)amino]-3-methylbutanoate
CID 107258038
5-methyl-N-[1-(4-methylphenyl)ethyl]pyrazine-2-carboxamide
CID 47161122
methyl 2-[(5-amino-2-methylpyridine-3-carbonyl)amino]-3-methylbutanoate
CID 54917349
methyl 2-[(2-ethyl-5-methylpyrazole-3-carbonyl)amino]-3-methylbutanoate
CID 62732888
(2S)-2-[(5-chloropyrazine-2-carbonyl)amino]-3-methylbutanoic acid
CID 107371470
methyl 2-[(5-cyano-6-methylpyridine-2-carbonyl)amino]-3-methylbutanoate
CID 43424083
N-[(1S)-1-(1-adamantyl)ethyl]-5-methylpyrazine-2-carboxamide
CID 7929638
methyl 3-(docosa-4,7,10,13,16,19-hexaenoylamino)-2-[(5-methylpyrazine-2-carbonyl)amino]propanoate
CID 123318213
N-[1-(2-chlorophenyl)ethyl]-5-methylpyrazine-2-carboxamide
CID 42905859
(2S)-2-[(5-methylpyrazine-2-carbonyl)amino]-2-phenylacetic acid
CID 30114448
methyl 2-[(5-amino-1-methylpyrazole-4-carbonyl)amino]-3-methylbutanoate
CID 82546712

Frequently Asked Questions

What is the IUPAC name of methyl 3-methyl-2-[(5-methylpyrazine-2-carbonyl)amino]butanoate?
The IUPAC name of methyl 3-methyl-2-[(5-methylpyrazine-2-carbonyl)amino]butanoate (CID 43407775) is methyl 3-methyl-2-[(5-methylpyrazine-2-carbonyl)amino]butanoate.
What is the SMILES notation for methyl 3-methyl-2-[(5-methylpyrazine-2-carbonyl)amino]butanoate?
The canonical SMILES for methyl 3-methyl-2-[(5-methylpyrazine-2-carbonyl)amino]butanoate is COC(=O)C(NC(=O)c1cnc(C)cn1)C(C)C.
What is the InChIKey of methyl 3-methyl-2-[(5-methylpyrazine-2-carbonyl)amino]butanoate?
The InChIKey is DZUMLAQCNITKSJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H17N3O3/c1-7(2)10(12(17)18-4)15-11(16)9-6-13-8(3)5-14-9/h5-7,10H,1-4H3,(H,15,16).
What are the key properties of methyl 3-methyl-2-[(5-methylpyrazine-2-carbonyl)amino]butanoate?
methyl 3-methyl-2-[(5-methylpyrazine-2-carbonyl)amino]butanoate has a molecular weight of 251.29 g/mol, XLogP of 0.71, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 3-methyl-2-[(5-methylpyrazine-2-carbonyl)amino]butanoate is sourced from PubChem (CID 43407775), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).