2-[1-[2-(5-bromo-2-oxo-1-pyridinyl)acetyl]pyrrolidin-2-yl]acetic acid

C13H15BrN2O4 — CID 61369881

IUPAC2-[1-[2-(5-bromo-2-oxo-1-pyridinyl)acetyl]pyrrolidin-2-yl]acetic acid
SMILESO=C(O)CC1CCCN1C(=O)Cn1cc(Br)ccc1=O
InChIInChI=1S/C13H15BrN2O4/c14-9-3-4-11(17)15(7-9)8-12(18)16-5-1-2-10(16)6-13(19)20/h3-4,7,10H,1-2,5-6,8H2,(H,19,20)
InChIKeyNOQPDKGDGYTILX-UHFFFAOYSA-N
MW343.18 g/mol
LogP1.08
Rot. Bonds4

About 2-[1-[2-(5-bromo-2-oxo-1-pyridinyl)acetyl]pyrrolidin-2-yl]acetic acid

2-[1-[2-(5-bromo-2-oxo-1-pyridinyl)acetyl]pyrrolidin-2-yl]acetic acid (PubChem CID 61369881) has the molecular formula C13H15BrN2O4 and a molecular weight of 343.18 g/mol. Its IUPAC name is 2-[1-[2-(5-bromo-2-oxo-1-pyridinyl)acetyl]pyrrolidin-2-yl]acetic acid.

Molecular Properties

Compound Name2-[1-[2-(5-bromo-2-oxo-1-pyridinyl)acetyl]pyrrolidin-2-yl]acetic acid
PubChem CID61369881
Molecular FormulaC13H15BrN2O4
Molecular Weight343.18 g/mol
Exact Mass342.02
IUPAC Name2-[1-[2-(5-bromo-2-oxo-1-pyridinyl)acetyl]pyrrolidin-2-yl]acetic acid
SMILESO=C(O)CC1CCCN1C(=O)Cn1cc(Br)ccc1=O
InChIInChI=1S/C13H15BrN2O4/c14-9-3-4-11(17)15(7-9)8-12(18)16-5-1-2-10(16)6-13(19)20/h3-4,7,10H,1-2,5-6,8H2,(H,19,20)
InChIKeyNOQPDKGDGYTILX-UHFFFAOYSA-N
XLogP1.08
TPSA79.61 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500343.18
LogP ≤ 51.08
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-[1-[2-(5-bromo-2-oxo-1-pyridinyl)acetyl]pyrrolidin-2-yl]acetic acid?
The IUPAC name of 2-[1-[2-(5-bromo-2-oxo-1-pyridinyl)acetyl]pyrrolidin-2-yl]acetic acid (CID 61369881) is 2-[1-[2-(5-bromo-2-oxo-1-pyridinyl)acetyl]pyrrolidin-2-yl]acetic acid.
What is the SMILES notation for 2-[1-[2-(5-bromo-2-oxo-1-pyridinyl)acetyl]pyrrolidin-2-yl]acetic acid?
The canonical SMILES for 2-[1-[2-(5-bromo-2-oxo-1-pyridinyl)acetyl]pyrrolidin-2-yl]acetic acid is O=C(O)CC1CCCN1C(=O)Cn1cc(Br)ccc1=O.
What is the InChIKey of 2-[1-[2-(5-bromo-2-oxo-1-pyridinyl)acetyl]pyrrolidin-2-yl]acetic acid?
The InChIKey is NOQPDKGDGYTILX-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H15BrN2O4/c14-9-3-4-11(17)15(7-9)8-12(18)16-5-1-2-10(16)6-13(19)20/h3-4,7,10H,1-2,5-6,8H2,(H,19,20).
What are the key properties of 2-[1-[2-(5-bromo-2-oxo-1-pyridinyl)acetyl]pyrrolidin-2-yl]acetic acid?
2-[1-[2-(5-bromo-2-oxo-1-pyridinyl)acetyl]pyrrolidin-2-yl]acetic acid has a molecular weight of 343.18 g/mol, XLogP of 1.08, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[1-[2-(5-bromo-2-oxo-1-pyridinyl)acetyl]pyrrolidin-2-yl]acetic acid is sourced from PubChem (CID 61369881), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).