1-(pyridin-2-ylmethyl)pyrrolidine-2-carboxylic acid

C11H14N2O2 — CID 5140464

IUPAC1-(pyridin-2-ylmethyl)pyrrolidine-2-carboxylic acid
SMILESO=C(O)C1CCCN1Cc1ccccn1
InChIInChI=1S/C11H14N2O2/c14-11(15)10-5-3-7-13(10)8-9-4-1-2-6-12-9/h1-2,4,6,10H,3,5,7-8H2,(H,14,15)
InChIKeyJXAKWFRDECJWGV-UHFFFAOYSA-N
MW206.25 g/mol
LogP1.13
Rot. Bonds3

About 1-(pyridin-2-ylmethyl)pyrrolidine-2-carboxylic acid

1-(pyridin-2-ylmethyl)pyrrolidine-2-carboxylic acid (PubChem CID 5140464) has the molecular formula C11H14N2O2 and a molecular weight of 206.25 g/mol. Its IUPAC name is 1-(pyridin-2-ylmethyl)pyrrolidine-2-carboxylic acid.

Molecular Properties

Compound Name1-(pyridin-2-ylmethyl)pyrrolidine-2-carboxylic acid
PubChem CID5140464
Molecular FormulaC11H14N2O2
Molecular Weight206.25 g/mol
Exact Mass206.11
IUPAC Name1-(pyridin-2-ylmethyl)pyrrolidine-2-carboxylic acid
SMILESO=C(O)C1CCCN1Cc1ccccn1
InChIInChI=1S/C11H14N2O2/c14-11(15)10-5-3-7-13(10)8-9-4-1-2-6-12-9/h1-2,4,6,10H,3,5,7-8H2,(H,14,15)
InChIKeyJXAKWFRDECJWGV-UHFFFAOYSA-N
XLogP1.13
TPSA53.43 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500206.25
LogP ≤ 51.13
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 1-(pyridin-2-ylmethyl)pyrrolidine-2-carboxylic acid?
The IUPAC name of 1-(pyridin-2-ylmethyl)pyrrolidine-2-carboxylic acid (CID 5140464) is 1-(pyridin-2-ylmethyl)pyrrolidine-2-carboxylic acid.
What is the SMILES notation for 1-(pyridin-2-ylmethyl)pyrrolidine-2-carboxylic acid?
The canonical SMILES for 1-(pyridin-2-ylmethyl)pyrrolidine-2-carboxylic acid is O=C(O)C1CCCN1Cc1ccccn1.
What is the InChIKey of 1-(pyridin-2-ylmethyl)pyrrolidine-2-carboxylic acid?
The InChIKey is JXAKWFRDECJWGV-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H14N2O2/c14-11(15)10-5-3-7-13(10)8-9-4-1-2-6-12-9/h1-2,4,6,10H,3,5,7-8H2,(H,14,15).
What are the key properties of 1-(pyridin-2-ylmethyl)pyrrolidine-2-carboxylic acid?
1-(pyridin-2-ylmethyl)pyrrolidine-2-carboxylic acid has a molecular weight of 206.25 g/mol, XLogP of 1.13, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(pyridin-2-ylmethyl)pyrrolidine-2-carboxylic acid is sourced from PubChem (CID 5140464), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).