6-[(2R)-2-(propan-2-yloxymethyl)pyrrolidine-1-carbonyl]pyridine-2-carboxylic acid

C15H20N2O4 — CID 58714878

IUPAC6-[(2R)-2-(propan-2-yloxymethyl)pyrrolidine-1-carbonyl]pyridine-2-carboxylic acid
SMILESCC(C)OC[C@H]1CCCN1C(=O)c1cccc(C(=O)O)n1
InChIInChI=1S/C15H20N2O4/c1-10(2)21-9-11-5-4-8-17(11)14(18)12-6-3-7-13(16-12)15(19)20/h3,6-7,10-11H,4-5,8-9H2,1-2H3,(H,19,20)/t11-/m1/s1
InChIKeyAMUYUFQKCVSQDH-LLVKDONJSA-N
MW292.34 g/mol
LogP1.81
Rot. Bonds5

About 6-[(2R)-2-(propan-2-yloxymethyl)pyrrolidine-1-carbonyl]pyridine-2-carboxylic acid

6-[(2R)-2-(propan-2-yloxymethyl)pyrrolidine-1-carbonyl]pyridine-2-carboxylic acid (PubChem CID 58714878) has the molecular formula C15H20N2O4 and a molecular weight of 292.34 g/mol. Its IUPAC name is 6-[(2R)-2-(propan-2-yloxymethyl)pyrrolidine-1-carbonyl]pyridine-2-carboxylic acid.

Molecular Properties

Compound Name6-[(2R)-2-(propan-2-yloxymethyl)pyrrolidine-1-carbonyl]pyridine-2-carboxylic acid
PubChem CID58714878
Molecular FormulaC15H20N2O4
Molecular Weight292.34 g/mol
Exact Mass292.14
IUPAC Name6-[(2R)-2-(propan-2-yloxymethyl)pyrrolidine-1-carbonyl]pyridine-2-carboxylic acid
SMILESCC(C)OC[C@H]1CCCN1C(=O)c1cccc(C(=O)O)n1
InChIInChI=1S/C15H20N2O4/c1-10(2)21-9-11-5-4-8-17(11)14(18)12-6-3-7-13(16-12)15(19)20/h3,6-7,10-11H,4-5,8-9H2,1-2H3,(H,19,20)/t11-/m1/s1
InChIKeyAMUYUFQKCVSQDH-LLVKDONJSA-N
XLogP1.81
TPSA79.73 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500292.34
LogP ≤ 51.81
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 6-[(2R)-2-(propan-2-yloxymethyl)pyrrolidine-1-carbonyl]pyridine-2-carboxylic acid?
The IUPAC name of 6-[(2R)-2-(propan-2-yloxymethyl)pyrrolidine-1-carbonyl]pyridine-2-carboxylic acid (CID 58714878) is 6-[(2R)-2-(propan-2-yloxymethyl)pyrrolidine-1-carbonyl]pyridine-2-carboxylic acid.
What is the SMILES notation for 6-[(2R)-2-(propan-2-yloxymethyl)pyrrolidine-1-carbonyl]pyridine-2-carboxylic acid?
The canonical SMILES for 6-[(2R)-2-(propan-2-yloxymethyl)pyrrolidine-1-carbonyl]pyridine-2-carboxylic acid is CC(C)OC[C@H]1CCCN1C(=O)c1cccc(C(=O)O)n1.
What is the InChIKey of 6-[(2R)-2-(propan-2-yloxymethyl)pyrrolidine-1-carbonyl]pyridine-2-carboxylic acid?
The InChIKey is AMUYUFQKCVSQDH-LLVKDONJSA-N. The full InChI is InChI=1S/C15H20N2O4/c1-10(2)21-9-11-5-4-8-17(11)14(18)12-6-3-7-13(16-12)15(19)20/h3,6-7,10-11H,4-5,8-9H2,1-2H3,(H,19,20)/t11-/m1/s1.
What are the key properties of 6-[(2R)-2-(propan-2-yloxymethyl)pyrrolidine-1-carbonyl]pyridine-2-carboxylic acid?
6-[(2R)-2-(propan-2-yloxymethyl)pyrrolidine-1-carbonyl]pyridine-2-carboxylic acid has a molecular weight of 292.34 g/mol, XLogP of 1.81, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 6-[(2R)-2-(propan-2-yloxymethyl)pyrrolidine-1-carbonyl]pyridine-2-carboxylic acid is sourced from PubChem (CID 58714878), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).