2-[(6-methoxycarbonylpyrazin-2-yl)amino]pentanoic acid

C11H15N3O4 — CID 66454589

IUPAC2-[(6-methoxycarbonylpyrazin-2-yl)amino]pentanoic acid
SMILESCCCC(Nc1cncc(C(=O)OC)n1)C(=O)O
InChIInChI=1S/C11H15N3O4/c1-3-4-7(10(15)16)13-9-6-12-5-8(14-9)11(17)18-2/h5-7H,3-4H2,1-2H3,(H,13,14)(H,15,16)
InChIKeyYFHXHRHWAMGMMH-UHFFFAOYSA-N
MW253.26 g/mol
LogP0.93
Rot. Bonds6

About 2-[(6-methoxycarbonylpyrazin-2-yl)amino]pentanoic acid

2-[(6-methoxycarbonylpyrazin-2-yl)amino]pentanoic acid (PubChem CID 66454589) has the molecular formula C11H15N3O4 and a molecular weight of 253.26 g/mol. Its IUPAC name is 2-[(6-methoxycarbonylpyrazin-2-yl)amino]pentanoic acid.

Molecular Properties

Compound Name2-[(6-methoxycarbonylpyrazin-2-yl)amino]pentanoic acid
PubChem CID66454589
Molecular FormulaC11H15N3O4
Molecular Weight253.26 g/mol
Exact Mass253.11
IUPAC Name2-[(6-methoxycarbonylpyrazin-2-yl)amino]pentanoic acid
SMILESCCCC(Nc1cncc(C(=O)OC)n1)C(=O)O
InChIInChI=1S/C11H15N3O4/c1-3-4-7(10(15)16)13-9-6-12-5-8(14-9)11(17)18-2/h5-7H,3-4H2,1-2H3,(H,13,14)(H,15,16)
InChIKeyYFHXHRHWAMGMMH-UHFFFAOYSA-N
XLogP0.93
TPSA101.41 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500253.26
LogP ≤ 50.93
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 2-[(6-methoxycarbonylpyrazin-2-yl)amino]pentanoic acid?
The IUPAC name of 2-[(6-methoxycarbonylpyrazin-2-yl)amino]pentanoic acid (CID 66454589) is 2-[(6-methoxycarbonylpyrazin-2-yl)amino]pentanoic acid.
What is the SMILES notation for 2-[(6-methoxycarbonylpyrazin-2-yl)amino]pentanoic acid?
The canonical SMILES for 2-[(6-methoxycarbonylpyrazin-2-yl)amino]pentanoic acid is CCCC(Nc1cncc(C(=O)OC)n1)C(=O)O.
What is the InChIKey of 2-[(6-methoxycarbonylpyrazin-2-yl)amino]pentanoic acid?
The InChIKey is YFHXHRHWAMGMMH-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H15N3O4/c1-3-4-7(10(15)16)13-9-6-12-5-8(14-9)11(17)18-2/h5-7H,3-4H2,1-2H3,(H,13,14)(H,15,16).
What are the key properties of 2-[(6-methoxycarbonylpyrazin-2-yl)amino]pentanoic acid?
2-[(6-methoxycarbonylpyrazin-2-yl)amino]pentanoic acid has a molecular weight of 253.26 g/mol, XLogP of 0.93, 6 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(6-methoxycarbonylpyrazin-2-yl)amino]pentanoic acid is sourced from PubChem (CID 66454589), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).