(2S)-2-N-(2-bicyclo[2.2.1]heptanyl)pyrrolidine-1,2-dicarboxamide

C13H21N3O2 — CID 102554892

IUPAC(2S)-2-N-(2-bicyclo[2.2.1]heptanyl)pyrrolidine-1,2-dicarboxamide
SMILESNC(=O)N1CCC[C@H]1C(=O)NC1CC2CCC1C2
InChIInChI=1S/C13H21N3O2/c14-13(18)16-5-1-2-11(16)12(17)15-10-7-8-3-4-9(10)6-8/h8-11H,1-7H2,(H2,14,18)(H,15,17)/t8?,9?,10?,11-/m0/s1
InChIKeyFKWFYHNYHMTZEV-QUBJWBRDSA-N
MW251.33 g/mol
LogP0.83
Rot. Bonds2

About (2S)-2-N-(2-bicyclo[2.2.1]heptanyl)pyrrolidine-1,2-dicarboxamide

(2S)-2-N-(2-bicyclo[2.2.1]heptanyl)pyrrolidine-1,2-dicarboxamide (PubChem CID 102554892) has the molecular formula C13H21N3O2 and a molecular weight of 251.33 g/mol. Its IUPAC name is (2S)-2-N-(2-bicyclo[2.2.1]heptanyl)pyrrolidine-1,2-dicarboxamide.

Molecular Properties

Compound Name(2S)-2-N-(2-bicyclo[2.2.1]heptanyl)pyrrolidine-1,2-dicarboxamide
PubChem CID102554892
Molecular FormulaC13H21N3O2
Molecular Weight251.33 g/mol
Exact Mass251.16
IUPAC Name(2S)-2-N-(2-bicyclo[2.2.1]heptanyl)pyrrolidine-1,2-dicarboxamide
SMILESNC(=O)N1CCC[C@H]1C(=O)NC1CC2CCC1C2
InChIInChI=1S/C13H21N3O2/c14-13(18)16-5-1-2-11(16)12(17)15-10-7-8-3-4-9(10)6-8/h8-11H,1-7H2,(H2,14,18)(H,15,17)/t8?,9?,10?,11-/m0/s1
InChIKeyFKWFYHNYHMTZEV-QUBJWBRDSA-N
XLogP0.83
TPSA75.43 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500251.33
LogP ≤ 50.83
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of (2S)-2-N-(2-bicyclo[2.2.1]heptanyl)pyrrolidine-1,2-dicarboxamide?
The IUPAC name of (2S)-2-N-(2-bicyclo[2.2.1]heptanyl)pyrrolidine-1,2-dicarboxamide (CID 102554892) is (2S)-2-N-(2-bicyclo[2.2.1]heptanyl)pyrrolidine-1,2-dicarboxamide.
What is the SMILES notation for (2S)-2-N-(2-bicyclo[2.2.1]heptanyl)pyrrolidine-1,2-dicarboxamide?
The canonical SMILES for (2S)-2-N-(2-bicyclo[2.2.1]heptanyl)pyrrolidine-1,2-dicarboxamide is NC(=O)N1CCC[C@H]1C(=O)NC1CC2CCC1C2.
What is the InChIKey of (2S)-2-N-(2-bicyclo[2.2.1]heptanyl)pyrrolidine-1,2-dicarboxamide?
The InChIKey is FKWFYHNYHMTZEV-QUBJWBRDSA-N. The full InChI is InChI=1S/C13H21N3O2/c14-13(18)16-5-1-2-11(16)12(17)15-10-7-8-3-4-9(10)6-8/h8-11H,1-7H2,(H2,14,18)(H,15,17)/t8?,9?,10?,11-/m0/s1.
What are the key properties of (2S)-2-N-(2-bicyclo[2.2.1]heptanyl)pyrrolidine-1,2-dicarboxamide?
(2S)-2-N-(2-bicyclo[2.2.1]heptanyl)pyrrolidine-1,2-dicarboxamide has a molecular weight of 251.33 g/mol, XLogP of 0.83, 2 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-2-N-(2-bicyclo[2.2.1]heptanyl)pyrrolidine-1,2-dicarboxamide is sourced from PubChem (CID 102554892), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).