2-[1-(6-methoxycarbonylpyrazin-2-yl)pyrrolidin-3-yl]acetic acid

C12H15N3O4 — CID 66455444

IUPAC2-[1-(6-methoxycarbonylpyrazin-2-yl)pyrrolidin-3-yl]acetic acid
SMILESCOC(=O)c1cncc(N2CCC(CC(=O)O)C2)n1
InChIInChI=1S/C12H15N3O4/c1-19-12(18)9-5-13-6-10(14-9)15-3-2-8(7-15)4-11(16)17/h5-6,8H,2-4,7H2,1H3,(H,16,17)
InChIKeyQNDHUZPWROUNOK-UHFFFAOYSA-N
MW265.27 g/mol
LogP0.56
Rot. Bonds4

About 2-[1-(6-methoxycarbonylpyrazin-2-yl)pyrrolidin-3-yl]acetic acid

2-[1-(6-methoxycarbonylpyrazin-2-yl)pyrrolidin-3-yl]acetic acid (PubChem CID 66455444) has the molecular formula C12H15N3O4 and a molecular weight of 265.27 g/mol. Its IUPAC name is 2-[1-(6-methoxycarbonylpyrazin-2-yl)pyrrolidin-3-yl]acetic acid.

Molecular Properties

Compound Name2-[1-(6-methoxycarbonylpyrazin-2-yl)pyrrolidin-3-yl]acetic acid
PubChem CID66455444
Molecular FormulaC12H15N3O4
Molecular Weight265.27 g/mol
Exact Mass265.11
IUPAC Name2-[1-(6-methoxycarbonylpyrazin-2-yl)pyrrolidin-3-yl]acetic acid
SMILESCOC(=O)c1cncc(N2CCC(CC(=O)O)C2)n1
InChIInChI=1S/C12H15N3O4/c1-19-12(18)9-5-13-6-10(14-9)15-3-2-8(7-15)4-11(16)17/h5-6,8H,2-4,7H2,1H3,(H,16,17)
InChIKeyQNDHUZPWROUNOK-UHFFFAOYSA-N
XLogP0.56
TPSA92.62 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500265.27
LogP ≤ 50.56
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 2-[1-(6-methoxycarbonylpyrazin-2-yl)pyrrolidin-3-yl]acetic acid?
The IUPAC name of 2-[1-(6-methoxycarbonylpyrazin-2-yl)pyrrolidin-3-yl]acetic acid (CID 66455444) is 2-[1-(6-methoxycarbonylpyrazin-2-yl)pyrrolidin-3-yl]acetic acid.
What is the SMILES notation for 2-[1-(6-methoxycarbonylpyrazin-2-yl)pyrrolidin-3-yl]acetic acid?
The canonical SMILES for 2-[1-(6-methoxycarbonylpyrazin-2-yl)pyrrolidin-3-yl]acetic acid is COC(=O)c1cncc(N2CCC(CC(=O)O)C2)n1.
What is the InChIKey of 2-[1-(6-methoxycarbonylpyrazin-2-yl)pyrrolidin-3-yl]acetic acid?
The InChIKey is QNDHUZPWROUNOK-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H15N3O4/c1-19-12(18)9-5-13-6-10(14-9)15-3-2-8(7-15)4-11(16)17/h5-6,8H,2-4,7H2,1H3,(H,16,17).
What are the key properties of 2-[1-(6-methoxycarbonylpyrazin-2-yl)pyrrolidin-3-yl]acetic acid?
2-[1-(6-methoxycarbonylpyrazin-2-yl)pyrrolidin-3-yl]acetic acid has a molecular weight of 265.27 g/mol, XLogP of 0.56, 4 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[1-(6-methoxycarbonylpyrazin-2-yl)pyrrolidin-3-yl]acetic acid is sourced from PubChem (CID 66455444), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).