tert-butyl (3R,5S)-3-fluoro-5-(methoxymethyl)-2-oxopyrrolidine-1-carboxylate

C11H18FNO4 — CID 101170047

IUPACtert-butyl (3R,5S)-3-fluoro-5-(methoxymethyl)-2-oxopyrrolidine-1-carboxylate
SMILESCOC[C@@H]1C[C@@H](F)C(=O)N1C(=O)OC(C)(C)C
InChIInChI=1S/C11H18FNO4/c1-11(2,3)17-10(15)13-7(6-16-4)5-8(12)9(13)14/h7-8H,5-6H2,1-4H3/t7-,8+/m0/s1
InChIKeyILJYBWSADULGNF-JGVFFNPUSA-N
MW247.27 g/mol
LogP1.51
Rot. Bonds2

About tert-butyl (3R,5S)-3-fluoro-5-(methoxymethyl)-2-oxopyrrolidine-1-carboxylate

tert-butyl (3R,5S)-3-fluoro-5-(methoxymethyl)-2-oxopyrrolidine-1-carboxylate (PubChem CID 101170047) has the molecular formula C11H18FNO4 and a molecular weight of 247.27 g/mol. Its IUPAC name is tert-butyl (3R,5S)-3-fluoro-5-(methoxymethyl)-2-oxopyrrolidine-1-carboxylate.

Molecular Properties

Compound Nametert-butyl (3R,5S)-3-fluoro-5-(methoxymethyl)-2-oxopyrrolidine-1-carboxylate
PubChem CID101170047
Molecular FormulaC11H18FNO4
Molecular Weight247.27 g/mol
Exact Mass247.12
IUPAC Nametert-butyl (3R,5S)-3-fluoro-5-(methoxymethyl)-2-oxopyrrolidine-1-carboxylate
SMILESCOC[C@@H]1C[C@@H](F)C(=O)N1C(=O)OC(C)(C)C
InChIInChI=1S/C11H18FNO4/c1-11(2,3)17-10(15)13-7(6-16-4)5-8(12)9(13)14/h7-8H,5-6H2,1-4H3/t7-,8+/m0/s1
InChIKeyILJYBWSADULGNF-JGVFFNPUSA-N
XLogP1.51
TPSA55.84 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500247.27
LogP ≤ 51.51
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Analyze tert-butyl (3R,5S)-3-fluoro-5-(methoxymethyl)-2-oxopyrrolidine-1-carboxylate with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

1-O-tert-butyl 2-O-methyl (2S)-5-oxopyrrolidine-1,2-dicarboxylate
CID 10868485
1-(1,1-Dimethylethyl) 2-ethyl (2S)-5-oxo-1,2-pyrrolidinedicarboxylate
CID 5461186
1-tert-Butyl 2-methyl (2R)-5-oxopyrrolidine-1,2-dicarboxylate
CID 11265021
(2S,4R)-1-tert-Butyl 2-methyl 4-fluoropyrrolidine-1,2-dicarboxylate
CID 11806976
1-O-tert-butyl 2-O-methyl (2S,4S)-4-(difluoromethyl)-5-oxopyrrolidine-1,2-dicarboxylate
CID 101333676
(2S,4S)-1-Tert-butyl 2-methyl 4-fluoropyrrolidine-1,2-dicarboxylate
CID 10977773
Di-tert-butyl (2S)-5-oxopyrrolidine-1,2-dicarboxylate
CID 11129853
1,2-di-tert-butyl (2S,4R)-4-fluoro-5-oxopyrrolidine-1,2-dicarboxylate
CID 155977925
1-Boc-D-Pyroglutamic acid ethyl ester
CID 820885
Ditert-butyl 5-oxopyrrolidine-1,2-dicarboxylate
CID 10902175
1,1-Dimethylethyl (2S)-2-[[[(1,1-dimethylethyl)dimethylsilyl]oxy]methyl]-5-oxo-1-pyrrolidinecarboxylate
CID 10903613
Tert-butyl (4S)-2,2-dimethyl-4-(3-oxopropyl)-1,3-oxazolidine-3-carboxylate
CID 10923184

Frequently Asked Questions

What is the IUPAC name of tert-butyl (3R,5S)-3-fluoro-5-(methoxymethyl)-2-oxopyrrolidine-1-carboxylate?
The IUPAC name of tert-butyl (3R,5S)-3-fluoro-5-(methoxymethyl)-2-oxopyrrolidine-1-carboxylate (CID 101170047) is tert-butyl (3R,5S)-3-fluoro-5-(methoxymethyl)-2-oxopyrrolidine-1-carboxylate.
What is the SMILES notation for tert-butyl (3R,5S)-3-fluoro-5-(methoxymethyl)-2-oxopyrrolidine-1-carboxylate?
The canonical SMILES for tert-butyl (3R,5S)-3-fluoro-5-(methoxymethyl)-2-oxopyrrolidine-1-carboxylate is COC[C@@H]1C[C@@H](F)C(=O)N1C(=O)OC(C)(C)C.
What is the InChIKey of tert-butyl (3R,5S)-3-fluoro-5-(methoxymethyl)-2-oxopyrrolidine-1-carboxylate?
The InChIKey is ILJYBWSADULGNF-JGVFFNPUSA-N. The full InChI is InChI=1S/C11H18FNO4/c1-11(2,3)17-10(15)13-7(6-16-4)5-8(12)9(13)14/h7-8H,5-6H2,1-4H3/t7-,8+/m0/s1.
What are the key properties of tert-butyl (3R,5S)-3-fluoro-5-(methoxymethyl)-2-oxopyrrolidine-1-carboxylate?
tert-butyl (3R,5S)-3-fluoro-5-(methoxymethyl)-2-oxopyrrolidine-1-carboxylate has a molecular weight of 247.27 g/mol, XLogP of 1.51, 2 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl (3R,5S)-3-fluoro-5-(methoxymethyl)-2-oxopyrrolidine-1-carboxylate is sourced from PubChem (CID 101170047), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).