tert-butyl (2S,4R)-4-fluoro-2-(1H-imidazol-2-yl)pyrrolidine-1-carboxylate

C12H18FN3O2 — CID 66837257

IUPACtert-butyl (2S,4R)-4-fluoro-2-(1H-imidazol-2-yl)pyrrolidine-1-carboxylate
SMILESCC(C)(C)OC(=O)N1C[C@H](F)C[C@H]1c1ncc[nH]1
InChIInChI=1S/C12H18FN3O2/c1-12(2,3)18-11(17)16-7-8(13)6-9(16)10-14-4-5-15-10/h4-5,8-9H,6-7H2,1-3H3,(H,14,15)/t8-,9+/m1/s1
InChIKeyFKTXOPANKUUFQW-BDAKNGLRSA-N
MW255.29 g/mol
LogP2.43
Rot. Bonds1

About tert-butyl (2S,4R)-4-fluoro-2-(1H-imidazol-2-yl)pyrrolidine-1-carboxylate

tert-butyl (2S,4R)-4-fluoro-2-(1H-imidazol-2-yl)pyrrolidine-1-carboxylate (PubChem CID 66837257) has the molecular formula C12H18FN3O2 and a molecular weight of 255.29 g/mol. Its IUPAC name is tert-butyl (2S,4R)-4-fluoro-2-(1H-imidazol-2-yl)pyrrolidine-1-carboxylate.

Molecular Properties

Compound Nametert-butyl (2S,4R)-4-fluoro-2-(1H-imidazol-2-yl)pyrrolidine-1-carboxylate
PubChem CID66837257
Molecular FormulaC12H18FN3O2
Molecular Weight255.29 g/mol
Exact Mass255.14
IUPAC Nametert-butyl (2S,4R)-4-fluoro-2-(1H-imidazol-2-yl)pyrrolidine-1-carboxylate
SMILESCC(C)(C)OC(=O)N1C[C@H](F)C[C@H]1c1ncc[nH]1
InChIInChI=1S/C12H18FN3O2/c1-12(2,3)18-11(17)16-7-8(13)6-9(16)10-14-4-5-15-10/h4-5,8-9H,6-7H2,1-3H3,(H,14,15)/t8-,9+/m1/s1
InChIKeyFKTXOPANKUUFQW-BDAKNGLRSA-N
XLogP2.43
TPSA58.22 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500255.29
LogP ≤ 52.43
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze tert-butyl (2S,4R)-4-fluoro-2-(1H-imidazol-2-yl)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

tert-butyl N-[(1H-imidazol-2-yl)methyl]carbamate
CID 18670478
tert-butyl 3-(1H-imidazol-2-yl)azetidine-1-carboxylate
CID 58494519
tert-butyl 2-(4-iodo-1H-imidazol-2-yl)piperidine-1-carboxylate
CID 137935976
1,1-Dimethylethyl (2S)-2-(5-bromo-1H-imidazol-2-yl)-1-pyrrolidinecarboxylate
CID 56605192
tert-butyl 3-(1H-imidazol-2-yl)piperazine-1-carboxylate
CID 102707022
tert-butyl N-[2-amino-1-(1-methyl-1H-imidazol-2-yl)ethyl]carbamate
CID 130760837
tert-Butyl (2S)-2-(1H-imidazol-2-yl)pyrrolidine-1-carboxylate
CID 49783269
tert-Butyl 2-(5-bromo-1H-imidazol-2-yl)pyrrolidine-1-carboxylate
CID 56605248
Boc-alanyl-imidazole
CID 70426577
Methyl N-((1S)-1-{[(2S)-2-(1H-imidazol-2-YL)tetrahydro-1H-pyrrol-1-YL]carbonyl}-2-methylpropyl)carbamate
CID 89887614
3-ethyl-8-(1H-imidazol-2-ylmethyl)-1-oxa-3,8-diazaspiro[4.5]decan-2-one
CID 70781323
tert-butyl (3S)-3-(1H-imidazol-2-ylmethylamino)piperidine-1-carboxylate
CID 84592204

Frequently Asked Questions

What is the IUPAC name of tert-butyl (2S,4R)-4-fluoro-2-(1H-imidazol-2-yl)pyrrolidine-1-carboxylate?
The IUPAC name of tert-butyl (2S,4R)-4-fluoro-2-(1H-imidazol-2-yl)pyrrolidine-1-carboxylate (CID 66837257) is tert-butyl (2S,4R)-4-fluoro-2-(1H-imidazol-2-yl)pyrrolidine-1-carboxylate.
What is the SMILES notation for tert-butyl (2S,4R)-4-fluoro-2-(1H-imidazol-2-yl)pyrrolidine-1-carboxylate?
The canonical SMILES for tert-butyl (2S,4R)-4-fluoro-2-(1H-imidazol-2-yl)pyrrolidine-1-carboxylate is CC(C)(C)OC(=O)N1C[C@H](F)C[C@H]1c1ncc[nH]1.
What is the InChIKey of tert-butyl (2S,4R)-4-fluoro-2-(1H-imidazol-2-yl)pyrrolidine-1-carboxylate?
The InChIKey is FKTXOPANKUUFQW-BDAKNGLRSA-N. The full InChI is InChI=1S/C12H18FN3O2/c1-12(2,3)18-11(17)16-7-8(13)6-9(16)10-14-4-5-15-10/h4-5,8-9H,6-7H2,1-3H3,(H,14,15)/t8-,9+/m1/s1.
What are the key properties of tert-butyl (2S,4R)-4-fluoro-2-(1H-imidazol-2-yl)pyrrolidine-1-carboxylate?
tert-butyl (2S,4R)-4-fluoro-2-(1H-imidazol-2-yl)pyrrolidine-1-carboxylate has a molecular weight of 255.29 g/mol, XLogP of 2.43, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl (2S,4R)-4-fluoro-2-(1H-imidazol-2-yl)pyrrolidine-1-carboxylate is sourced from PubChem (CID 66837257), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).