2-[(3-carbamoylpyrazin-2-yl)amino]-4-methoxybutanoic acid

C10H14N4O4 — CID 55103049

IUPAC2-[(3-carbamoylpyrazin-2-yl)amino]-4-methoxybutanoic acid
SMILESCOCCC(Nc1nccnc1C(N)=O)C(=O)O
InChIInChI=1S/C10H14N4O4/c1-18-5-2-6(10(16)17)14-9-7(8(11)15)12-3-4-13-9/h3-4,6H,2,5H2,1H3,(H2,11,15)(H,13,14)(H,16,17)
InChIKeyLESYCIXLHYGSJX-UHFFFAOYSA-N
MW254.25 g/mol
LogP-0.52
Rot. Bonds7

About 2-[(3-carbamoylpyrazin-2-yl)amino]-4-methoxybutanoic acid

2-[(3-carbamoylpyrazin-2-yl)amino]-4-methoxybutanoic acid (PubChem CID 55103049) has the molecular formula C10H14N4O4 and a molecular weight of 254.25 g/mol. Its IUPAC name is 2-[(3-carbamoylpyrazin-2-yl)amino]-4-methoxybutanoic acid.

Molecular Properties

Compound Name2-[(3-carbamoylpyrazin-2-yl)amino]-4-methoxybutanoic acid
PubChem CID55103049
Molecular FormulaC10H14N4O4
Molecular Weight254.25 g/mol
Exact Mass254.10
IUPAC Name2-[(3-carbamoylpyrazin-2-yl)amino]-4-methoxybutanoic acid
SMILESCOCCC(Nc1nccnc1C(N)=O)C(=O)O
InChIInChI=1S/C10H14N4O4/c1-18-5-2-6(10(16)17)14-9-7(8(11)15)12-3-4-13-9/h3-4,6H,2,5H2,1H3,(H2,11,15)(H,13,14)(H,16,17)
InChIKeyLESYCIXLHYGSJX-UHFFFAOYSA-N
XLogP-0.52
TPSA127.43 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500254.25
LogP ≤ 5-0.52
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 2-[(3-carbamoylpyrazin-2-yl)amino]-4-methoxybutanoic acid?
The IUPAC name of 2-[(3-carbamoylpyrazin-2-yl)amino]-4-methoxybutanoic acid (CID 55103049) is 2-[(3-carbamoylpyrazin-2-yl)amino]-4-methoxybutanoic acid.
What is the SMILES notation for 2-[(3-carbamoylpyrazin-2-yl)amino]-4-methoxybutanoic acid?
The canonical SMILES for 2-[(3-carbamoylpyrazin-2-yl)amino]-4-methoxybutanoic acid is COCCC(Nc1nccnc1C(N)=O)C(=O)O.
What is the InChIKey of 2-[(3-carbamoylpyrazin-2-yl)amino]-4-methoxybutanoic acid?
The InChIKey is LESYCIXLHYGSJX-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H14N4O4/c1-18-5-2-6(10(16)17)14-9-7(8(11)15)12-3-4-13-9/h3-4,6H,2,5H2,1H3,(H2,11,15)(H,13,14)(H,16,17).
What are the key properties of 2-[(3-carbamoylpyrazin-2-yl)amino]-4-methoxybutanoic acid?
2-[(3-carbamoylpyrazin-2-yl)amino]-4-methoxybutanoic acid has a molecular weight of 254.25 g/mol, XLogP of -0.52, 7 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(3-carbamoylpyrazin-2-yl)amino]-4-methoxybutanoic acid is sourced from PubChem (CID 55103049), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).