(2S)-1-(piperidin-1-ylcarbamoyl)pyrrolidine-2-carboxylic acid

C11H19N3O3 — CID 83019487

IUPAC(2S)-1-(piperidin-1-ylcarbamoyl)pyrrolidine-2-carboxylic acid
SMILESO=C(O)[C@@H]1CCCN1C(=O)NN1CCCCC1
InChIInChI=1S/C11H19N3O3/c15-10(16)9-5-4-8-14(9)11(17)12-13-6-2-1-3-7-13/h9H,1-8H2,(H,12,17)(H,15,16)/t9-/m0/s1
InChIKeyXBVRQEFRKCCDBA-VIFPVBQESA-N
MW241.29 g/mol
LogP0.65
Rot. Bonds2

About (2S)-1-(piperidin-1-ylcarbamoyl)pyrrolidine-2-carboxylic acid

(2S)-1-(piperidin-1-ylcarbamoyl)pyrrolidine-2-carboxylic acid (PubChem CID 83019487) has the molecular formula C11H19N3O3 and a molecular weight of 241.29 g/mol. Its IUPAC name is (2S)-1-(piperidin-1-ylcarbamoyl)pyrrolidine-2-carboxylic acid.

Molecular Properties

Compound Name(2S)-1-(piperidin-1-ylcarbamoyl)pyrrolidine-2-carboxylic acid
PubChem CID83019487
Molecular FormulaC11H19N3O3
Molecular Weight241.29 g/mol
Exact Mass241.14
IUPAC Name(2S)-1-(piperidin-1-ylcarbamoyl)pyrrolidine-2-carboxylic acid
SMILESO=C(O)[C@@H]1CCCN1C(=O)NN1CCCCC1
InChIInChI=1S/C11H19N3O3/c15-10(16)9-5-4-8-14(9)11(17)12-13-6-2-1-3-7-13/h9H,1-8H2,(H,12,17)(H,15,16)/t9-/m0/s1
InChIKeyXBVRQEFRKCCDBA-VIFPVBQESA-N
XLogP0.65
TPSA72.88 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500241.29
LogP ≤ 50.65
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of (2S)-1-(piperidin-1-ylcarbamoyl)pyrrolidine-2-carboxylic acid?
The IUPAC name of (2S)-1-(piperidin-1-ylcarbamoyl)pyrrolidine-2-carboxylic acid (CID 83019487) is (2S)-1-(piperidin-1-ylcarbamoyl)pyrrolidine-2-carboxylic acid.
What is the SMILES notation for (2S)-1-(piperidin-1-ylcarbamoyl)pyrrolidine-2-carboxylic acid?
The canonical SMILES for (2S)-1-(piperidin-1-ylcarbamoyl)pyrrolidine-2-carboxylic acid is O=C(O)[C@@H]1CCCN1C(=O)NN1CCCCC1.
What is the InChIKey of (2S)-1-(piperidin-1-ylcarbamoyl)pyrrolidine-2-carboxylic acid?
The InChIKey is XBVRQEFRKCCDBA-VIFPVBQESA-N. The full InChI is InChI=1S/C11H19N3O3/c15-10(16)9-5-4-8-14(9)11(17)12-13-6-2-1-3-7-13/h9H,1-8H2,(H,12,17)(H,15,16)/t9-/m0/s1.
What are the key properties of (2S)-1-(piperidin-1-ylcarbamoyl)pyrrolidine-2-carboxylic acid?
(2S)-1-(piperidin-1-ylcarbamoyl)pyrrolidine-2-carboxylic acid has a molecular weight of 241.29 g/mol, XLogP of 0.65, 2 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-1-(piperidin-1-ylcarbamoyl)pyrrolidine-2-carboxylic acid is sourced from PubChem (CID 83019487), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).