tert-butyl (2S)-2-fluoro-2-(methoxymethyl)pyrrolidine-1-carboxylate

C11H20FNO3 — CID 66592318

IUPACtert-butyl (2S)-2-fluoro-2-(methoxymethyl)pyrrolidine-1-carboxylate
SMILESCOC[C@@]1(F)CCCN1C(=O)OC(C)(C)C
InChIInChI=1S/C11H20FNO3/c1-10(2,3)16-9(14)13-7-5-6-11(13,12)8-15-4/h5-8H2,1-4H3/t11-/m1/s1
InChIKeyGCAQXIKAPLQASN-LLVKDONJSA-N
MW233.28 g/mol
LogP2.33
Rot. Bonds2

About tert-butyl (2S)-2-fluoro-2-(methoxymethyl)pyrrolidine-1-carboxylate

tert-butyl (2S)-2-fluoro-2-(methoxymethyl)pyrrolidine-1-carboxylate (PubChem CID 66592318) has the molecular formula C11H20FNO3 and a molecular weight of 233.28 g/mol. Its IUPAC name is tert-butyl (2S)-2-fluoro-2-(methoxymethyl)pyrrolidine-1-carboxylate.

Molecular Properties

Compound Nametert-butyl (2S)-2-fluoro-2-(methoxymethyl)pyrrolidine-1-carboxylate
PubChem CID66592318
Molecular FormulaC11H20FNO3
Molecular Weight233.28 g/mol
Exact Mass233.14
IUPAC Nametert-butyl (2S)-2-fluoro-2-(methoxymethyl)pyrrolidine-1-carboxylate
SMILESCOC[C@@]1(F)CCCN1C(=O)OC(C)(C)C
InChIInChI=1S/C11H20FNO3/c1-10(2,3)16-9(14)13-7-5-6-11(13,12)8-15-4/h5-8H2,1-4H3/t11-/m1/s1
InChIKeyGCAQXIKAPLQASN-LLVKDONJSA-N
XLogP2.33
TPSA38.77 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500233.28
LogP ≤ 52.33
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'N-C-halo', 'substructure': 'N/A'}

Analyze tert-butyl (2S)-2-fluoro-2-(methoxymethyl)pyrrolidine-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

N-(tert-Butoxycarbonyl)-D-prolinol
CID 688279
(S)-(-)-N-Boc-prolinol
CID 643448
tert-Butyl 2-(hydroxymethyl)pyrrolidine-1-carboxylate
CID 550865
Tert-butyl 4,4-difluoro-2-(hydroxymethyl)pyrrolidine-1-carboxylate
CID 22001352
Tert-butyl 3,3-difluoro-2-(hydroxymethyl)pyrrolidine-1-carboxylate
CID 10705015
tert-Butyl (2S)-4,4-difluoro-2-(hydroxymethyl)pyrrolidine-1-carboxylate
CID 20648576
Tert-butyl 4-fluoro-2-(hydroxymethyl)pyrrolidine-1-carboxylate
CID 56973583
tert-butyl (2R,4S)-4-fluoro-2-(hydroxymethyl)pyrrolidine-1-carboxylate
CID 58483823
tert-butyl (2S,4R)-4-fluoro-2-(hydroxymethyl)pyrrolidine-1-carboxylate
CID 67092752
Tert-butyl 2-ethynyl-2-(methoxymethyl)pyrrolidine-1-carboxylate
CID 170911577
5-[1,1-Difluoro-3-[(2-methylpropan-2-yl)oxy]propyl]-3-methyl-1,3-oxazolidin-2-one
CID 101432697
tert-butyl (2S)-2-[(aminooxy)methyl]pyrrolidine-1-carboxylate
CID 11218194

Frequently Asked Questions

What is the IUPAC name of tert-butyl (2S)-2-fluoro-2-(methoxymethyl)pyrrolidine-1-carboxylate?
The IUPAC name of tert-butyl (2S)-2-fluoro-2-(methoxymethyl)pyrrolidine-1-carboxylate (CID 66592318) is tert-butyl (2S)-2-fluoro-2-(methoxymethyl)pyrrolidine-1-carboxylate.
What is the SMILES notation for tert-butyl (2S)-2-fluoro-2-(methoxymethyl)pyrrolidine-1-carboxylate?
The canonical SMILES for tert-butyl (2S)-2-fluoro-2-(methoxymethyl)pyrrolidine-1-carboxylate is COC[C@@]1(F)CCCN1C(=O)OC(C)(C)C.
What is the InChIKey of tert-butyl (2S)-2-fluoro-2-(methoxymethyl)pyrrolidine-1-carboxylate?
The InChIKey is GCAQXIKAPLQASN-LLVKDONJSA-N. The full InChI is InChI=1S/C11H20FNO3/c1-10(2,3)16-9(14)13-7-5-6-11(13,12)8-15-4/h5-8H2,1-4H3/t11-/m1/s1.
What are the key properties of tert-butyl (2S)-2-fluoro-2-(methoxymethyl)pyrrolidine-1-carboxylate?
tert-butyl (2S)-2-fluoro-2-(methoxymethyl)pyrrolidine-1-carboxylate has a molecular weight of 233.28 g/mol, XLogP of 2.33, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl (2S)-2-fluoro-2-(methoxymethyl)pyrrolidine-1-carboxylate is sourced from PubChem (CID 66592318), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).