(2S)-N-[[1-(cyanomethyl)cyclopropyl]methyl]-2-[(2R)-oxolan-2-yl]pyrrolidine-1-carboxamide

C15H23N3O2 — CID 124846190

IUPAC(2S)-N-[[1-(cyanomethyl)cyclopropyl]methyl]-2-[(2R)-oxolan-2-yl]pyrrolidine-1-carboxamide
SMILESN#CCC1(CNC(=O)N2CCC[C@H]2[C@H]2CCCO2)CC1
InChIInChI=1S/C15H23N3O2/c16-8-7-15(5-6-15)11-17-14(19)18-9-1-3-12(18)13-4-2-10-20-13/h12-13H,1-7,9-11H2,(H,17,19)/t12-,13+/m0/s1
InChIKeyIHYSMAGSCVFUFT-QWHCGFSZSA-N
MW277.37 g/mol
LogP2.03
Rot. Bonds4

About (2S)-N-[[1-(cyanomethyl)cyclopropyl]methyl]-2-[(2R)-oxolan-2-yl]pyrrolidine-1-carboxamide

(2S)-N-[[1-(cyanomethyl)cyclopropyl]methyl]-2-[(2R)-oxolan-2-yl]pyrrolidine-1-carboxamide (PubChem CID 124846190) has the molecular formula C15H23N3O2 and a molecular weight of 277.37 g/mol. Its IUPAC name is (2S)-N-[[1-(cyanomethyl)cyclopropyl]methyl]-2-[(2R)-oxolan-2-yl]pyrrolidine-1-carboxamide.

Molecular Properties

Compound Name(2S)-N-[[1-(cyanomethyl)cyclopropyl]methyl]-2-[(2R)-oxolan-2-yl]pyrrolidine-1-carboxamide
PubChem CID124846190
Molecular FormulaC15H23N3O2
Molecular Weight277.37 g/mol
Exact Mass277.18
IUPAC Name(2S)-N-[[1-(cyanomethyl)cyclopropyl]methyl]-2-[(2R)-oxolan-2-yl]pyrrolidine-1-carboxamide
SMILESN#CCC1(CNC(=O)N2CCC[C@H]2[C@H]2CCCO2)CC1
InChIInChI=1S/C15H23N3O2/c16-8-7-15(5-6-15)11-17-14(19)18-9-1-3-12(18)13-4-2-10-20-13/h12-13H,1-7,9-11H2,(H,17,19)/t12-,13+/m0/s1
InChIKeyIHYSMAGSCVFUFT-QWHCGFSZSA-N
XLogP2.03
TPSA65.36 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500277.37
LogP ≤ 52.03
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of (2S)-N-[[1-(cyanomethyl)cyclopropyl]methyl]-2-[(2R)-oxolan-2-yl]pyrrolidine-1-carboxamide?
The IUPAC name of (2S)-N-[[1-(cyanomethyl)cyclopropyl]methyl]-2-[(2R)-oxolan-2-yl]pyrrolidine-1-carboxamide (CID 124846190) is (2S)-N-[[1-(cyanomethyl)cyclopropyl]methyl]-2-[(2R)-oxolan-2-yl]pyrrolidine-1-carboxamide.
What is the SMILES notation for (2S)-N-[[1-(cyanomethyl)cyclopropyl]methyl]-2-[(2R)-oxolan-2-yl]pyrrolidine-1-carboxamide?
The canonical SMILES for (2S)-N-[[1-(cyanomethyl)cyclopropyl]methyl]-2-[(2R)-oxolan-2-yl]pyrrolidine-1-carboxamide is N#CCC1(CNC(=O)N2CCC[C@H]2[C@H]2CCCO2)CC1.
What is the InChIKey of (2S)-N-[[1-(cyanomethyl)cyclopropyl]methyl]-2-[(2R)-oxolan-2-yl]pyrrolidine-1-carboxamide?
The InChIKey is IHYSMAGSCVFUFT-QWHCGFSZSA-N. The full InChI is InChI=1S/C15H23N3O2/c16-8-7-15(5-6-15)11-17-14(19)18-9-1-3-12(18)13-4-2-10-20-13/h12-13H,1-7,9-11H2,(H,17,19)/t12-,13+/m0/s1.
What are the key properties of (2S)-N-[[1-(cyanomethyl)cyclopropyl]methyl]-2-[(2R)-oxolan-2-yl]pyrrolidine-1-carboxamide?
(2S)-N-[[1-(cyanomethyl)cyclopropyl]methyl]-2-[(2R)-oxolan-2-yl]pyrrolidine-1-carboxamide has a molecular weight of 277.37 g/mol, XLogP of 2.03, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-N-[[1-(cyanomethyl)cyclopropyl]methyl]-2-[(2R)-oxolan-2-yl]pyrrolidine-1-carboxamide is sourced from PubChem (CID 124846190), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).