3-methoxy-4-(pyrazine-2-carbonylamino)butanoic acid

C10H13N3O4 — CID 103152974

IUPAC3-methoxy-4-(pyrazine-2-carbonylamino)butanoic acid
SMILESCOC(CNC(=O)c1cnccn1)CC(=O)O
InChIInChI=1S/C10H13N3O4/c1-17-7(4-9(14)15)5-13-10(16)8-6-11-2-3-12-8/h2-3,6-7H,4-5H2,1H3,(H,13,16)(H,14,15)
InChIKeyGBTPGOUIRBHRAJ-UHFFFAOYSA-N
MW239.23 g/mol
LogP-0.30
Rot. Bonds6

About 3-methoxy-4-(pyrazine-2-carbonylamino)butanoic acid

3-methoxy-4-(pyrazine-2-carbonylamino)butanoic acid (PubChem CID 103152974) has the molecular formula C10H13N3O4 and a molecular weight of 239.23 g/mol. Its IUPAC name is 3-methoxy-4-(pyrazine-2-carbonylamino)butanoic acid.

Molecular Properties

Compound Name3-methoxy-4-(pyrazine-2-carbonylamino)butanoic acid
PubChem CID103152974
Molecular FormulaC10H13N3O4
Molecular Weight239.23 g/mol
Exact Mass239.09
IUPAC Name3-methoxy-4-(pyrazine-2-carbonylamino)butanoic acid
SMILESCOC(CNC(=O)c1cnccn1)CC(=O)O
InChIInChI=1S/C10H13N3O4/c1-17-7(4-9(14)15)5-13-10(16)8-6-11-2-3-12-8/h2-3,6-7H,4-5H2,1H3,(H,13,16)(H,14,15)
InChIKeyGBTPGOUIRBHRAJ-UHFFFAOYSA-N
XLogP-0.30
TPSA101.41 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500239.23
LogP ≤ 5-0.30
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

3-methoxy-4-(pyridine-2-carbonylamino)butanoic acid
CID 103152963
3-methoxy-4-[(2-pyridin-3-ylacetyl)amino]butanoic acid
CID 103153354
N-(2,2-diethoxyethyl)pyrazine-2-carboxamide
CID 103602082
N-(4-hydroxy-2-methylbutyl)pyrazine-2-carboxamide
CID 66106195
4-[(3-aminopyridine-2-carbonyl)amino]-3-methoxybutanoic acid
CID 103157050
(2S)-2-(pyrazine-2-carbonylamino)butanedioic acid
CID 112733139
methyl N-[2-(pyrazine-2-carbonylamino)ethyl]carbamate
CID 108574667
3-methoxy-4-(quinoline-2-carbonylamino)butanoic acid
CID 103152204
ethane;N-propan-2-ylpyrazine-2-carboxamide
CID 143147775
2-[[2-(pyrazine-2-carbonylamino)acetyl]amino]propanoic acid
CID 14101217
3-methoxy-4-(quinoline-4-carbonylamino)butanoic acid
CID 103152989
N-(3-methyl-2-oxobutyl)pyrazine-2-carboxamide
CID 103874912

Frequently Asked Questions

What is the IUPAC name of 3-methoxy-4-(pyrazine-2-carbonylamino)butanoic acid?
The IUPAC name of 3-methoxy-4-(pyrazine-2-carbonylamino)butanoic acid (CID 103152974) is 3-methoxy-4-(pyrazine-2-carbonylamino)butanoic acid.
What is the SMILES notation for 3-methoxy-4-(pyrazine-2-carbonylamino)butanoic acid?
The canonical SMILES for 3-methoxy-4-(pyrazine-2-carbonylamino)butanoic acid is COC(CNC(=O)c1cnccn1)CC(=O)O.
What is the InChIKey of 3-methoxy-4-(pyrazine-2-carbonylamino)butanoic acid?
The InChIKey is GBTPGOUIRBHRAJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H13N3O4/c1-17-7(4-9(14)15)5-13-10(16)8-6-11-2-3-12-8/h2-3,6-7H,4-5H2,1H3,(H,13,16)(H,14,15).
What are the key properties of 3-methoxy-4-(pyrazine-2-carbonylamino)butanoic acid?
3-methoxy-4-(pyrazine-2-carbonylamino)butanoic acid has a molecular weight of 239.23 g/mol, XLogP of -0.30, 6 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-methoxy-4-(pyrazine-2-carbonylamino)butanoic acid is sourced from PubChem (CID 103152974), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).