(2S)-4-(pyridin-4-ylmethyl)pyrrolidine-2-carboxylic acid

C11H14N2O2 — CID 70546491

IUPAC(2S)-4-(pyridin-4-ylmethyl)pyrrolidine-2-carboxylic acid
SMILESO=C(O)[C@@H]1CC(Cc2ccncc2)CN1
InChIInChI=1S/C11H14N2O2/c14-11(15)10-6-9(7-13-10)5-8-1-3-12-4-2-8/h1-4,9-10,13H,5-7H2,(H,14,15)/t9?,10-/m0/s1
InChIKeyWMOPDYHAXAWSRC-AXDSSHIGSA-N
MW206.25 g/mol
LogP0.69
Rot. Bonds3

About (2S)-4-(pyridin-4-ylmethyl)pyrrolidine-2-carboxylic acid

(2S)-4-(pyridin-4-ylmethyl)pyrrolidine-2-carboxylic acid (PubChem CID 70546491) has the molecular formula C11H14N2O2 and a molecular weight of 206.25 g/mol. Its IUPAC name is (2S)-4-(pyridin-4-ylmethyl)pyrrolidine-2-carboxylic acid.

Molecular Properties

Compound Name(2S)-4-(pyridin-4-ylmethyl)pyrrolidine-2-carboxylic acid
PubChem CID70546491
Molecular FormulaC11H14N2O2
Molecular Weight206.25 g/mol
Exact Mass206.11
IUPAC Name(2S)-4-(pyridin-4-ylmethyl)pyrrolidine-2-carboxylic acid
SMILESO=C(O)[C@@H]1CC(Cc2ccncc2)CN1
InChIInChI=1S/C11H14N2O2/c14-11(15)10-6-9(7-13-10)5-8-1-3-12-4-2-8/h1-4,9-10,13H,5-7H2,(H,14,15)/t9?,10-/m0/s1
InChIKeyWMOPDYHAXAWSRC-AXDSSHIGSA-N
XLogP0.69
TPSA62.22 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500206.25
LogP ≤ 50.69
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of (2S)-4-(pyridin-4-ylmethyl)pyrrolidine-2-carboxylic acid?
The IUPAC name of (2S)-4-(pyridin-4-ylmethyl)pyrrolidine-2-carboxylic acid (CID 70546491) is (2S)-4-(pyridin-4-ylmethyl)pyrrolidine-2-carboxylic acid.
What is the SMILES notation for (2S)-4-(pyridin-4-ylmethyl)pyrrolidine-2-carboxylic acid?
The canonical SMILES for (2S)-4-(pyridin-4-ylmethyl)pyrrolidine-2-carboxylic acid is O=C(O)[C@@H]1CC(Cc2ccncc2)CN1.
What is the InChIKey of (2S)-4-(pyridin-4-ylmethyl)pyrrolidine-2-carboxylic acid?
The InChIKey is WMOPDYHAXAWSRC-AXDSSHIGSA-N. The full InChI is InChI=1S/C11H14N2O2/c14-11(15)10-6-9(7-13-10)5-8-1-3-12-4-2-8/h1-4,9-10,13H,5-7H2,(H,14,15)/t9?,10-/m0/s1.
What are the key properties of (2S)-4-(pyridin-4-ylmethyl)pyrrolidine-2-carboxylic acid?
(2S)-4-(pyridin-4-ylmethyl)pyrrolidine-2-carboxylic acid has a molecular weight of 206.25 g/mol, XLogP of 0.69, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-4-(pyridin-4-ylmethyl)pyrrolidine-2-carboxylic acid is sourced from PubChem (CID 70546491), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).