(2S)-2-(pyridin-4-yloxymethyl)pyrrolidine-1-carboxylic acid

C11H14N2O3 — CID 68805212

IUPAC(2S)-2-(pyridin-4-yloxymethyl)pyrrolidine-1-carboxylic acid
SMILESO=C(O)N1CCC[C@H]1COc1ccncc1
InChIInChI=1S/C11H14N2O3/c14-11(15)13-7-1-2-9(13)8-16-10-3-5-12-6-4-10/h3-6,9H,1-2,7-8H2,(H,14,15)/t9-/m0/s1
InChIKeyZZYPMFZXTJQNFB-VIFPVBQESA-N
MW222.24 g/mol
LogP1.60
Rot. Bonds3

About (2S)-2-(pyridin-4-yloxymethyl)pyrrolidine-1-carboxylic acid

(2S)-2-(pyridin-4-yloxymethyl)pyrrolidine-1-carboxylic acid (PubChem CID 68805212) has the molecular formula C11H14N2O3 and a molecular weight of 222.24 g/mol. Its IUPAC name is (2S)-2-(pyridin-4-yloxymethyl)pyrrolidine-1-carboxylic acid.

Molecular Properties

Compound Name(2S)-2-(pyridin-4-yloxymethyl)pyrrolidine-1-carboxylic acid
PubChem CID68805212
Molecular FormulaC11H14N2O3
Molecular Weight222.24 g/mol
Exact Mass222.10
IUPAC Name(2S)-2-(pyridin-4-yloxymethyl)pyrrolidine-1-carboxylic acid
SMILESO=C(O)N1CCC[C@H]1COc1ccncc1
InChIInChI=1S/C11H14N2O3/c14-11(15)13-7-1-2-9(13)8-16-10-3-5-12-6-4-10/h3-6,9H,1-2,7-8H2,(H,14,15)/t9-/m0/s1
InChIKeyZZYPMFZXTJQNFB-VIFPVBQESA-N
XLogP1.60
TPSA62.66 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500222.24
LogP ≤ 51.60
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of (2S)-2-(pyridin-4-yloxymethyl)pyrrolidine-1-carboxylic acid?
The IUPAC name of (2S)-2-(pyridin-4-yloxymethyl)pyrrolidine-1-carboxylic acid (CID 68805212) is (2S)-2-(pyridin-4-yloxymethyl)pyrrolidine-1-carboxylic acid.
What is the SMILES notation for (2S)-2-(pyridin-4-yloxymethyl)pyrrolidine-1-carboxylic acid?
The canonical SMILES for (2S)-2-(pyridin-4-yloxymethyl)pyrrolidine-1-carboxylic acid is O=C(O)N1CCC[C@H]1COc1ccncc1.
What is the InChIKey of (2S)-2-(pyridin-4-yloxymethyl)pyrrolidine-1-carboxylic acid?
The InChIKey is ZZYPMFZXTJQNFB-VIFPVBQESA-N. The full InChI is InChI=1S/C11H14N2O3/c14-11(15)13-7-1-2-9(13)8-16-10-3-5-12-6-4-10/h3-6,9H,1-2,7-8H2,(H,14,15)/t9-/m0/s1.
What are the key properties of (2S)-2-(pyridin-4-yloxymethyl)pyrrolidine-1-carboxylic acid?
(2S)-2-(pyridin-4-yloxymethyl)pyrrolidine-1-carboxylic acid has a molecular weight of 222.24 g/mol, XLogP of 1.60, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-2-(pyridin-4-yloxymethyl)pyrrolidine-1-carboxylic acid is sourced from PubChem (CID 68805212), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).