(2R)-1-[(3,5-dibromo-2-pyridinyl)methyl]pyrrolidine-2-carboxylic acid

C11H12Br2N2O2 — CID 122038436

IUPAC(2R)-1-[(3,5-dibromo-2-pyridinyl)methyl]pyrrolidine-2-carboxylic acid
SMILESO=C(O)[C@H]1CCCN1Cc1ncc(Br)cc1Br
InChIInChI=1S/C11H12Br2N2O2/c12-7-4-8(13)9(14-5-7)6-15-3-1-2-10(15)11(16)17/h4-5,10H,1-3,6H2,(H,16,17)/t10-/m1/s1
InChIKeyUDGNKKHJWBUWLR-SNVBAGLBSA-N
MW364.04 g/mol
LogP2.66
Rot. Bonds3

About (2R)-1-[(3,5-dibromo-2-pyridinyl)methyl]pyrrolidine-2-carboxylic acid

(2R)-1-[(3,5-dibromo-2-pyridinyl)methyl]pyrrolidine-2-carboxylic acid (PubChem CID 122038436) has the molecular formula C11H12Br2N2O2 and a molecular weight of 364.04 g/mol. Its IUPAC name is (2R)-1-[(3,5-dibromo-2-pyridinyl)methyl]pyrrolidine-2-carboxylic acid.

Molecular Properties

Compound Name(2R)-1-[(3,5-dibromo-2-pyridinyl)methyl]pyrrolidine-2-carboxylic acid
PubChem CID122038436
Molecular FormulaC11H12Br2N2O2
Molecular Weight364.04 g/mol
Exact Mass361.93
IUPAC Name(2R)-1-[(3,5-dibromo-2-pyridinyl)methyl]pyrrolidine-2-carboxylic acid
SMILESO=C(O)[C@H]1CCCN1Cc1ncc(Br)cc1Br
InChIInChI=1S/C11H12Br2N2O2/c12-7-4-8(13)9(14-5-7)6-15-3-1-2-10(15)11(16)17/h4-5,10H,1-3,6H2,(H,16,17)/t10-/m1/s1
InChIKeyUDGNKKHJWBUWLR-SNVBAGLBSA-N
XLogP2.66
TPSA53.43 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500364.04
LogP ≤ 52.66
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of (2R)-1-[(3,5-dibromo-2-pyridinyl)methyl]pyrrolidine-2-carboxylic acid?
The IUPAC name of (2R)-1-[(3,5-dibromo-2-pyridinyl)methyl]pyrrolidine-2-carboxylic acid (CID 122038436) is (2R)-1-[(3,5-dibromo-2-pyridinyl)methyl]pyrrolidine-2-carboxylic acid.
What is the SMILES notation for (2R)-1-[(3,5-dibromo-2-pyridinyl)methyl]pyrrolidine-2-carboxylic acid?
The canonical SMILES for (2R)-1-[(3,5-dibromo-2-pyridinyl)methyl]pyrrolidine-2-carboxylic acid is O=C(O)[C@H]1CCCN1Cc1ncc(Br)cc1Br.
What is the InChIKey of (2R)-1-[(3,5-dibromo-2-pyridinyl)methyl]pyrrolidine-2-carboxylic acid?
The InChIKey is UDGNKKHJWBUWLR-SNVBAGLBSA-N. The full InChI is InChI=1S/C11H12Br2N2O2/c12-7-4-8(13)9(14-5-7)6-15-3-1-2-10(15)11(16)17/h4-5,10H,1-3,6H2,(H,16,17)/t10-/m1/s1.
What are the key properties of (2R)-1-[(3,5-dibromo-2-pyridinyl)methyl]pyrrolidine-2-carboxylic acid?
(2R)-1-[(3,5-dibromo-2-pyridinyl)methyl]pyrrolidine-2-carboxylic acid has a molecular weight of 364.04 g/mol, XLogP of 2.66, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-1-[(3,5-dibromo-2-pyridinyl)methyl]pyrrolidine-2-carboxylic acid is sourced from PubChem (CID 122038436), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).