(2R)-1-[2-(5-bromo-2-oxo-1-pyridinyl)acetyl]pyrrolidine-2-carboxylic acid

C12H13BrN2O4 — CID 55150409

IUPAC(2R)-1-[2-(5-bromo-2-oxo-1-pyridinyl)acetyl]pyrrolidine-2-carboxylic acid
SMILESO=C(O)[C@H]1CCCN1C(=O)Cn1cc(Br)ccc1=O
InChIInChI=1S/C12H13BrN2O4/c13-8-3-4-10(16)14(6-8)7-11(17)15-5-1-2-9(15)12(18)19/h3-4,6,9H,1-2,5,7H2,(H,18,19)/t9-/m1/s1
InChIKeyMKWQLKCRXNOVJY-SECBINFHSA-N
MW329.15 g/mol
LogP0.69
Rot. Bonds3

About (2R)-1-[2-(5-bromo-2-oxo-1-pyridinyl)acetyl]pyrrolidine-2-carboxylic acid

(2R)-1-[2-(5-bromo-2-oxo-1-pyridinyl)acetyl]pyrrolidine-2-carboxylic acid (PubChem CID 55150409) has the molecular formula C12H13BrN2O4 and a molecular weight of 329.15 g/mol. Its IUPAC name is (2R)-1-[2-(5-bromo-2-oxo-1-pyridinyl)acetyl]pyrrolidine-2-carboxylic acid.

Molecular Properties

Compound Name(2R)-1-[2-(5-bromo-2-oxo-1-pyridinyl)acetyl]pyrrolidine-2-carboxylic acid
PubChem CID55150409
Molecular FormulaC12H13BrN2O4
Molecular Weight329.15 g/mol
Exact Mass328.01
IUPAC Name(2R)-1-[2-(5-bromo-2-oxo-1-pyridinyl)acetyl]pyrrolidine-2-carboxylic acid
SMILESO=C(O)[C@H]1CCCN1C(=O)Cn1cc(Br)ccc1=O
InChIInChI=1S/C12H13BrN2O4/c13-8-3-4-10(16)14(6-8)7-11(17)15-5-1-2-9(15)12(18)19/h3-4,6,9H,1-2,5,7H2,(H,18,19)/t9-/m1/s1
InChIKeyMKWQLKCRXNOVJY-SECBINFHSA-N
XLogP0.69
TPSA79.61 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500329.15
LogP ≤ 50.69
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of (2R)-1-[2-(5-bromo-2-oxo-1-pyridinyl)acetyl]pyrrolidine-2-carboxylic acid?
The IUPAC name of (2R)-1-[2-(5-bromo-2-oxo-1-pyridinyl)acetyl]pyrrolidine-2-carboxylic acid (CID 55150409) is (2R)-1-[2-(5-bromo-2-oxo-1-pyridinyl)acetyl]pyrrolidine-2-carboxylic acid.
What is the SMILES notation for (2R)-1-[2-(5-bromo-2-oxo-1-pyridinyl)acetyl]pyrrolidine-2-carboxylic acid?
The canonical SMILES for (2R)-1-[2-(5-bromo-2-oxo-1-pyridinyl)acetyl]pyrrolidine-2-carboxylic acid is O=C(O)[C@H]1CCCN1C(=O)Cn1cc(Br)ccc1=O.
What is the InChIKey of (2R)-1-[2-(5-bromo-2-oxo-1-pyridinyl)acetyl]pyrrolidine-2-carboxylic acid?
The InChIKey is MKWQLKCRXNOVJY-SECBINFHSA-N. The full InChI is InChI=1S/C12H13BrN2O4/c13-8-3-4-10(16)14(6-8)7-11(17)15-5-1-2-9(15)12(18)19/h3-4,6,9H,1-2,5,7H2,(H,18,19)/t9-/m1/s1.
What are the key properties of (2R)-1-[2-(5-bromo-2-oxo-1-pyridinyl)acetyl]pyrrolidine-2-carboxylic acid?
(2R)-1-[2-(5-bromo-2-oxo-1-pyridinyl)acetyl]pyrrolidine-2-carboxylic acid has a molecular weight of 329.15 g/mol, XLogP of 0.69, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-1-[2-(5-bromo-2-oxo-1-pyridinyl)acetyl]pyrrolidine-2-carboxylic acid is sourced from PubChem (CID 55150409), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).