N-[[(1R,2S)-2-cyclobutylcyclopropyl]methyl]-5-oxopyrrolidine-3-carboxamide

C13H20N2O2 — CID 128891590

IUPACN-[[(1R,2S)-2-cyclobutylcyclopropyl]methyl]-5-oxopyrrolidine-3-carboxamide
SMILESO=C1CC(C(=O)NC[C@@H]2C[C@H]2C2CCC2)CN1
InChIInChI=1S/C13H20N2O2/c16-12-5-10(7-14-12)13(17)15-6-9-4-11(9)8-2-1-3-8/h8-11H,1-7H2,(H,14,16)(H,15,17)/t9-,10?,11-/m0/s1
InChIKeyJLXIEWQTKWPSCM-JRUYECLLSA-N
MW236.31 g/mol
LogP0.67
Rot. Bonds4

About N-[[(1R,2S)-2-cyclobutylcyclopropyl]methyl]-5-oxopyrrolidine-3-carboxamide

N-[[(1R,2S)-2-cyclobutylcyclopropyl]methyl]-5-oxopyrrolidine-3-carboxamide (PubChem CID 128891590) has the molecular formula C13H20N2O2 and a molecular weight of 236.31 g/mol. Its IUPAC name is N-[[(1R,2S)-2-cyclobutylcyclopropyl]methyl]-5-oxopyrrolidine-3-carboxamide.

Molecular Properties

Compound NameN-[[(1R,2S)-2-cyclobutylcyclopropyl]methyl]-5-oxopyrrolidine-3-carboxamide
PubChem CID128891590
Molecular FormulaC13H20N2O2
Molecular Weight236.31 g/mol
Exact Mass236.15
IUPAC NameN-[[(1R,2S)-2-cyclobutylcyclopropyl]methyl]-5-oxopyrrolidine-3-carboxamide
SMILESO=C1CC(C(=O)NC[C@@H]2C[C@H]2C2CCC2)CN1
InChIInChI=1S/C13H20N2O2/c16-12-5-10(7-14-12)13(17)15-6-9-4-11(9)8-2-1-3-8/h8-11H,1-7H2,(H,14,16)(H,15,17)/t9-,10?,11-/m0/s1
InChIKeyJLXIEWQTKWPSCM-JRUYECLLSA-N
XLogP0.67
TPSA58.20 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500236.31
LogP ≤ 50.67
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of N-[[(1R,2S)-2-cyclobutylcyclopropyl]methyl]-5-oxopyrrolidine-3-carboxamide?
The IUPAC name of N-[[(1R,2S)-2-cyclobutylcyclopropyl]methyl]-5-oxopyrrolidine-3-carboxamide (CID 128891590) is N-[[(1R,2S)-2-cyclobutylcyclopropyl]methyl]-5-oxopyrrolidine-3-carboxamide.
What is the SMILES notation for N-[[(1R,2S)-2-cyclobutylcyclopropyl]methyl]-5-oxopyrrolidine-3-carboxamide?
The canonical SMILES for N-[[(1R,2S)-2-cyclobutylcyclopropyl]methyl]-5-oxopyrrolidine-3-carboxamide is O=C1CC(C(=O)NC[C@@H]2C[C@H]2C2CCC2)CN1.
What is the InChIKey of N-[[(1R,2S)-2-cyclobutylcyclopropyl]methyl]-5-oxopyrrolidine-3-carboxamide?
The InChIKey is JLXIEWQTKWPSCM-JRUYECLLSA-N. The full InChI is InChI=1S/C13H20N2O2/c16-12-5-10(7-14-12)13(17)15-6-9-4-11(9)8-2-1-3-8/h8-11H,1-7H2,(H,14,16)(H,15,17)/t9-,10?,11-/m0/s1.
What are the key properties of N-[[(1R,2S)-2-cyclobutylcyclopropyl]methyl]-5-oxopyrrolidine-3-carboxamide?
N-[[(1R,2S)-2-cyclobutylcyclopropyl]methyl]-5-oxopyrrolidine-3-carboxamide has a molecular weight of 236.31 g/mol, XLogP of 0.67, 4 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[(1R,2S)-2-cyclobutylcyclopropyl]methyl]-5-oxopyrrolidine-3-carboxamide is sourced from PubChem (CID 128891590), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).