5-methoxy-5-oxo-2-(pyrazine-2-carbonylamino)pentanoic acid

C11H13N3O5 — CID 82786676

IUPAC5-methoxy-5-oxo-2-(pyrazine-2-carbonylamino)pentanoic acid
SMILESCOC(=O)CCC(NC(=O)c1cnccn1)C(=O)O
InChIInChI=1S/C11H13N3O5/c1-19-9(15)3-2-7(11(17)18)14-10(16)8-6-12-4-5-13-8/h4-7H,2-3H2,1H3,(H,14,16)(H,17,18)
InChIKeyJUPNACBKQGUODN-UHFFFAOYSA-N
MW267.24 g/mol
LogP-0.39
Rot. Bonds6

About 5-methoxy-5-oxo-2-(pyrazine-2-carbonylamino)pentanoic acid

5-methoxy-5-oxo-2-(pyrazine-2-carbonylamino)pentanoic acid (PubChem CID 82786676) has the molecular formula C11H13N3O5 and a molecular weight of 267.24 g/mol. Its IUPAC name is 5-methoxy-5-oxo-2-(pyrazine-2-carbonylamino)pentanoic acid.

Molecular Properties

Compound Name5-methoxy-5-oxo-2-(pyrazine-2-carbonylamino)pentanoic acid
PubChem CID82786676
Molecular FormulaC11H13N3O5
Molecular Weight267.24 g/mol
Exact Mass267.09
IUPAC Name5-methoxy-5-oxo-2-(pyrazine-2-carbonylamino)pentanoic acid
SMILESCOC(=O)CCC(NC(=O)c1cnccn1)C(=O)O
InChIInChI=1S/C11H13N3O5/c1-19-9(15)3-2-7(11(17)18)14-10(16)8-6-12-4-5-13-8/h4-7H,2-3H2,1H3,(H,14,16)(H,17,18)
InChIKeyJUPNACBKQGUODN-UHFFFAOYSA-N
XLogP-0.39
TPSA118.48 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500267.24
LogP ≤ 5-0.39
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Related Compounds

(2S)-4-hydroxy-2-(pyrazine-2-carbonylamino)butanoic acid
CID 107822419
5-methoxy-5-oxo-2-(pyridine-2-carbonylamino)pentanoic acid
CID 82786131
2-(pyrazine-2-carbonylamino)hexanoic acid
CID 43388148
(2R)-2-[(5-chloropyridine-2-carbonyl)amino]-5-methoxy-5-oxopentanoic acid
CID 107820649
(2S)-2-(pyrazine-2-carbonylamino)butanedioic acid
CID 112733139
(2R)-5-methoxy-5-oxo-2-[(6-oxo-1H-pyrazine-3-carbonyl)amino]pentanoic acid
CID 107820744
(E)-2-(pyrazine-2-carbonylamino)hex-4-enoic acid
CID 120692944
(2S)-3-[(2-methylpropan-2-yl)oxy]-2-(pyrazine-2-carbonylamino)propanoic acid
CID 53362907
2-oxo-5-(pyrazine-2-carbonylamino)hexanediamide
CID 175901788
ethane;N-propan-2-ylpyrazine-2-carboxamide
CID 143147775
(2R)-5-methoxy-2-[(2-methylpyridine-3-carbonyl)amino]-5-oxopentanoic acid
CID 107820710
(2S)-2-[(6-chloropyridine-2-carbonyl)amino]-5-methoxy-5-oxopentanoic acid
CID 107820235

Frequently Asked Questions

What is the IUPAC name of 5-methoxy-5-oxo-2-(pyrazine-2-carbonylamino)pentanoic acid?
The IUPAC name of 5-methoxy-5-oxo-2-(pyrazine-2-carbonylamino)pentanoic acid (CID 82786676) is 5-methoxy-5-oxo-2-(pyrazine-2-carbonylamino)pentanoic acid.
What is the SMILES notation for 5-methoxy-5-oxo-2-(pyrazine-2-carbonylamino)pentanoic acid?
The canonical SMILES for 5-methoxy-5-oxo-2-(pyrazine-2-carbonylamino)pentanoic acid is COC(=O)CCC(NC(=O)c1cnccn1)C(=O)O.
What is the InChIKey of 5-methoxy-5-oxo-2-(pyrazine-2-carbonylamino)pentanoic acid?
The InChIKey is JUPNACBKQGUODN-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H13N3O5/c1-19-9(15)3-2-7(11(17)18)14-10(16)8-6-12-4-5-13-8/h4-7H,2-3H2,1H3,(H,14,16)(H,17,18).
What are the key properties of 5-methoxy-5-oxo-2-(pyrazine-2-carbonylamino)pentanoic acid?
5-methoxy-5-oxo-2-(pyrazine-2-carbonylamino)pentanoic acid has a molecular weight of 267.24 g/mol, XLogP of -0.39, 6 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 5-methoxy-5-oxo-2-(pyrazine-2-carbonylamino)pentanoic acid is sourced from PubChem (CID 82786676), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).