(2S)-1-(5-cyano-2-pyridinyl)pyrrolidine-2-carboxylic acid

C11H11N3O2 — CID 30078852

IUPAC(2S)-1-(5-cyano-2-pyridinyl)pyrrolidine-2-carboxylic acid
SMILESN#Cc1ccc(N2CCC[C@H]2C(=O)O)nc1
InChIInChI=1S/C11H11N3O2/c12-6-8-3-4-10(13-7-8)14-5-1-2-9(14)11(15)16/h3-4,7,9H,1-2,5H2,(H,15,16)/t9-/m0/s1
InChIKeyMVUPLMFLBNMVHZ-VIFPVBQESA-N
MW217.23 g/mol
LogP1.01
Rot. Bonds2

About (2S)-1-(5-cyano-2-pyridinyl)pyrrolidine-2-carboxylic acid

(2S)-1-(5-cyano-2-pyridinyl)pyrrolidine-2-carboxylic acid (PubChem CID 30078852) has the molecular formula C11H11N3O2 and a molecular weight of 217.23 g/mol. Its IUPAC name is (2S)-1-(5-cyano-2-pyridinyl)pyrrolidine-2-carboxylic acid.

Molecular Properties

Compound Name(2S)-1-(5-cyano-2-pyridinyl)pyrrolidine-2-carboxylic acid
PubChem CID30078852
Molecular FormulaC11H11N3O2
Molecular Weight217.23 g/mol
Exact Mass217.09
IUPAC Name(2S)-1-(5-cyano-2-pyridinyl)pyrrolidine-2-carboxylic acid
SMILESN#Cc1ccc(N2CCC[C@H]2C(=O)O)nc1
InChIInChI=1S/C11H11N3O2/c12-6-8-3-4-10(13-7-8)14-5-1-2-9(14)11(15)16/h3-4,7,9H,1-2,5H2,(H,15,16)/t9-/m0/s1
InChIKeyMVUPLMFLBNMVHZ-VIFPVBQESA-N
XLogP1.01
TPSA77.22 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500217.23
LogP ≤ 51.01
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of (2S)-1-(5-cyano-2-pyridinyl)pyrrolidine-2-carboxylic acid?
The IUPAC name of (2S)-1-(5-cyano-2-pyridinyl)pyrrolidine-2-carboxylic acid (CID 30078852) is (2S)-1-(5-cyano-2-pyridinyl)pyrrolidine-2-carboxylic acid.
What is the SMILES notation for (2S)-1-(5-cyano-2-pyridinyl)pyrrolidine-2-carboxylic acid?
The canonical SMILES for (2S)-1-(5-cyano-2-pyridinyl)pyrrolidine-2-carboxylic acid is N#Cc1ccc(N2CCC[C@H]2C(=O)O)nc1.
What is the InChIKey of (2S)-1-(5-cyano-2-pyridinyl)pyrrolidine-2-carboxylic acid?
The InChIKey is MVUPLMFLBNMVHZ-VIFPVBQESA-N. The full InChI is InChI=1S/C11H11N3O2/c12-6-8-3-4-10(13-7-8)14-5-1-2-9(14)11(15)16/h3-4,7,9H,1-2,5H2,(H,15,16)/t9-/m0/s1.
What are the key properties of (2S)-1-(5-cyano-2-pyridinyl)pyrrolidine-2-carboxylic acid?
(2S)-1-(5-cyano-2-pyridinyl)pyrrolidine-2-carboxylic acid has a molecular weight of 217.23 g/mol, XLogP of 1.01, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-1-(5-cyano-2-pyridinyl)pyrrolidine-2-carboxylic acid is sourced from PubChem (CID 30078852), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).