(2S)-N-[3-(2,6-difluorophenyl)oxetan-3-yl]-5-oxo-1-propan-2-ylpyrrolidine-2-carboxamide

C17H20F2N2O3 — CID 136587033

IUPAC(2S)-N-[3-(2,6-difluorophenyl)oxetan-3-yl]-5-oxo-1-propan-2-ylpyrrolidine-2-carboxamide
SMILESCC(C)N1C(=O)CC[C@H]1C(=O)NC1(c2c(F)cccc2F)COC1
InChIInChI=1S/C17H20F2N2O3/c1-10(2)21-13(6-7-14(21)22)16(23)20-17(8-24-9-17)15-11(18)4-3-5-12(15)19/h3-5,10,13H,6-9H2,1-2H3,(H,20,23)/t13-/m0/s1
InChIKeyGVDUZFSGTIOTIJ-ZDUSSCGKSA-N
MW338.35 g/mol
LogP1.71
Rot. Bonds4

About (2S)-N-[3-(2,6-difluorophenyl)oxetan-3-yl]-5-oxo-1-propan-2-ylpyrrolidine-2-carboxamide

(2S)-N-[3-(2,6-difluorophenyl)oxetan-3-yl]-5-oxo-1-propan-2-ylpyrrolidine-2-carboxamide (PubChem CID 136587033) has the molecular formula C17H20F2N2O3 and a molecular weight of 338.35 g/mol. Its IUPAC name is (2S)-N-[3-(2,6-difluorophenyl)oxetan-3-yl]-5-oxo-1-propan-2-ylpyrrolidine-2-carboxamide.

Molecular Properties

Compound Name(2S)-N-[3-(2,6-difluorophenyl)oxetan-3-yl]-5-oxo-1-propan-2-ylpyrrolidine-2-carboxamide
PubChem CID136587033
Molecular FormulaC17H20F2N2O3
Molecular Weight338.35 g/mol
Exact Mass338.14
IUPAC Name(2S)-N-[3-(2,6-difluorophenyl)oxetan-3-yl]-5-oxo-1-propan-2-ylpyrrolidine-2-carboxamide
SMILESCC(C)N1C(=O)CC[C@H]1C(=O)NC1(c2c(F)cccc2F)COC1
InChIInChI=1S/C17H20F2N2O3/c1-10(2)21-13(6-7-14(21)22)16(23)20-17(8-24-9-17)15-11(18)4-3-5-12(15)19/h3-5,10,13H,6-9H2,1-2H3,(H,20,23)/t13-/m0/s1
InChIKeyGVDUZFSGTIOTIJ-ZDUSSCGKSA-N
XLogP1.71
TPSA58.64 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500338.35
LogP ≤ 51.71
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of (2S)-N-[3-(2,6-difluorophenyl)oxetan-3-yl]-5-oxo-1-propan-2-ylpyrrolidine-2-carboxamide?
The IUPAC name of (2S)-N-[3-(2,6-difluorophenyl)oxetan-3-yl]-5-oxo-1-propan-2-ylpyrrolidine-2-carboxamide (CID 136587033) is (2S)-N-[3-(2,6-difluorophenyl)oxetan-3-yl]-5-oxo-1-propan-2-ylpyrrolidine-2-carboxamide.
What is the SMILES notation for (2S)-N-[3-(2,6-difluorophenyl)oxetan-3-yl]-5-oxo-1-propan-2-ylpyrrolidine-2-carboxamide?
The canonical SMILES for (2S)-N-[3-(2,6-difluorophenyl)oxetan-3-yl]-5-oxo-1-propan-2-ylpyrrolidine-2-carboxamide is CC(C)N1C(=O)CC[C@H]1C(=O)NC1(c2c(F)cccc2F)COC1.
What is the InChIKey of (2S)-N-[3-(2,6-difluorophenyl)oxetan-3-yl]-5-oxo-1-propan-2-ylpyrrolidine-2-carboxamide?
The InChIKey is GVDUZFSGTIOTIJ-ZDUSSCGKSA-N. The full InChI is InChI=1S/C17H20F2N2O3/c1-10(2)21-13(6-7-14(21)22)16(23)20-17(8-24-9-17)15-11(18)4-3-5-12(15)19/h3-5,10,13H,6-9H2,1-2H3,(H,20,23)/t13-/m0/s1.
What are the key properties of (2S)-N-[3-(2,6-difluorophenyl)oxetan-3-yl]-5-oxo-1-propan-2-ylpyrrolidine-2-carboxamide?
(2S)-N-[3-(2,6-difluorophenyl)oxetan-3-yl]-5-oxo-1-propan-2-ylpyrrolidine-2-carboxamide has a molecular weight of 338.35 g/mol, XLogP of 1.71, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-N-[3-(2,6-difluorophenyl)oxetan-3-yl]-5-oxo-1-propan-2-ylpyrrolidine-2-carboxamide is sourced from PubChem (CID 136587033), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).