tert-butyl (1R,4S,6R)-4-[2-[(5-fluoro-2-pyridinyl)oxy]ethyl]-3-azabicyclo[4.1.0]heptane-3-carboxylate

C18H25FN2O3 — CID 66742551

IUPACtert-butyl (1R,4S,6R)-4-[2-[(5-fluoro-2-pyridinyl)oxy]ethyl]-3-azabicyclo[4.1.0]heptane-3-carboxylate
SMILESCC(C)(C)OC(=O)N1C[C@@H]2C[C@@H]2C[C@H]1CCOc1ccc(F)cn1
InChIInChI=1S/C18H25FN2O3/c1-18(2,3)24-17(22)21-11-13-8-12(13)9-15(21)6-7-23-16-5-4-14(19)10-20-16/h4-5,10,12-13,15H,6-9,11H2,1-3H3/t12-,13+,15-/m1/s1
InChIKeySOJRBPCVPPCLDW-VNHYZAJKSA-N
MW336.41 g/mol
LogP3.64
Rot. Bonds4

About tert-butyl (1R,4S,6R)-4-[2-[(5-fluoro-2-pyridinyl)oxy]ethyl]-3-azabicyclo[4.1.0]heptane-3-carboxylate

tert-butyl (1R,4S,6R)-4-[2-[(5-fluoro-2-pyridinyl)oxy]ethyl]-3-azabicyclo[4.1.0]heptane-3-carboxylate (PubChem CID 66742551) has the molecular formula C18H25FN2O3 and a molecular weight of 336.41 g/mol. Its IUPAC name is tert-butyl (1R,4S,6R)-4-[2-[(5-fluoro-2-pyridinyl)oxy]ethyl]-3-azabicyclo[4.1.0]heptane-3-carboxylate.

Molecular Properties

Compound Nametert-butyl (1R,4S,6R)-4-[2-[(5-fluoro-2-pyridinyl)oxy]ethyl]-3-azabicyclo[4.1.0]heptane-3-carboxylate
PubChem CID66742551
Molecular FormulaC18H25FN2O3
Molecular Weight336.41 g/mol
Exact Mass336.18
IUPAC Nametert-butyl (1R,4S,6R)-4-[2-[(5-fluoro-2-pyridinyl)oxy]ethyl]-3-azabicyclo[4.1.0]heptane-3-carboxylate
SMILESCC(C)(C)OC(=O)N1C[C@@H]2C[C@@H]2C[C@H]1CCOc1ccc(F)cn1
InChIInChI=1S/C18H25FN2O3/c1-18(2,3)24-17(22)21-11-13-8-12(13)9-15(21)6-7-23-16-5-4-14(19)10-20-16/h4-5,10,12-13,15H,6-9,11H2,1-3H3/t12-,13+,15-/m1/s1
InChIKeySOJRBPCVPPCLDW-VNHYZAJKSA-N
XLogP3.64
TPSA51.66 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500336.41
LogP ≤ 53.64
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Analyze tert-butyl (1R,4S,6R)-4-[2-[(5-fluoro-2-pyridinyl)oxy]ethyl]-3-azabicyclo[4.1.0]heptane-3-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 (2R,5R)-5-[(5-fluoro-2-pyridinyl)oxymethyl]-2-methylpiperidine-1-carboxylate
CID 58332758
tert-butyl (1R,4S,6R)-4-(aminomethyl)-3-azabicyclo[4.1.0]heptane-3-carboxylate
CID 59363697
tert-butyl (1S,4S,6S)-4-[[[5-(trifluoromethyl)pyrazin-2-yl]amino]methyl]-3-azabicyclo[4.1.0]heptane-3-carboxylate
CID 59396005
tert-butyl (3R)-3-[2-[(5-methyl-2-pyridinyl)oxy]ethyl]piperidine-1-carboxylate
CID 97176758
tert-butyl 2-(5-fluoro-2-pyridinyl)pyrrolidine-1-carboxylate
CID 126492165
tert-butyl (2R)-2-[2-[(5-nitro-2-pyridinyl)oxy]ethyl]piperidine-1-carboxylate
CID 97173308
tert-butyl 4-(2-methoxy-2-oxoethyl)-3-azabicyclo[4.1.0]heptane-3-carboxylate
CID 117045648
tert-butyl (2S)-4-(5-fluoro-2-pyridinyl)-2-methylpiperazine-1-carboxylate
CID 134500389
6-[2-[1-[(2-methylpropan-2-yl)oxycarbonyl]piperidin-4-yl]ethoxy]pyridine-3-carboxylic acid
CID 19034100
tert-butyl (1S,4S,6S)-4-[(2,6-dichloro-4-pyridinyl)oxymethyl]-3-azabicyclo[4.1.0]heptane-3-carboxylate;tert-butyl (1S,4S,6S)-4-[(4,6-dichloro-2-pyridinyl)oxymethyl]-3-azabicyclo[4.1.0]heptane-3-carboxylate
CID 158875749
tert-butyl (2S)-2-[(5-bromo-2-pyridinyl)oxymethyl]pyrrolidine-1-carboxylate
CID 97172833
tert-butyl (2R)-2-[2-(2-chloropyrimidin-4-yl)oxyethyl]piperidine-1-carboxylate
CID 97173304

Frequently Asked Questions

What is the IUPAC name of tert-butyl (1R,4S,6R)-4-[2-[(5-fluoro-2-pyridinyl)oxy]ethyl]-3-azabicyclo[4.1.0]heptane-3-carboxylate?
The IUPAC name of tert-butyl (1R,4S,6R)-4-[2-[(5-fluoro-2-pyridinyl)oxy]ethyl]-3-azabicyclo[4.1.0]heptane-3-carboxylate (CID 66742551) is tert-butyl (1R,4S,6R)-4-[2-[(5-fluoro-2-pyridinyl)oxy]ethyl]-3-azabicyclo[4.1.0]heptane-3-carboxylate.
What is the SMILES notation for tert-butyl (1R,4S,6R)-4-[2-[(5-fluoro-2-pyridinyl)oxy]ethyl]-3-azabicyclo[4.1.0]heptane-3-carboxylate?
The canonical SMILES for tert-butyl (1R,4S,6R)-4-[2-[(5-fluoro-2-pyridinyl)oxy]ethyl]-3-azabicyclo[4.1.0]heptane-3-carboxylate is CC(C)(C)OC(=O)N1C[C@@H]2C[C@@H]2C[C@H]1CCOc1ccc(F)cn1.
What is the InChIKey of tert-butyl (1R,4S,6R)-4-[2-[(5-fluoro-2-pyridinyl)oxy]ethyl]-3-azabicyclo[4.1.0]heptane-3-carboxylate?
The InChIKey is SOJRBPCVPPCLDW-VNHYZAJKSA-N. The full InChI is InChI=1S/C18H25FN2O3/c1-18(2,3)24-17(22)21-11-13-8-12(13)9-15(21)6-7-23-16-5-4-14(19)10-20-16/h4-5,10,12-13,15H,6-9,11H2,1-3H3/t12-,13+,15-/m1/s1.
What are the key properties of tert-butyl (1R,4S,6R)-4-[2-[(5-fluoro-2-pyridinyl)oxy]ethyl]-3-azabicyclo[4.1.0]heptane-3-carboxylate?
tert-butyl (1R,4S,6R)-4-[2-[(5-fluoro-2-pyridinyl)oxy]ethyl]-3-azabicyclo[4.1.0]heptane-3-carboxylate has a molecular weight of 336.41 g/mol, XLogP of 3.64, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl (1R,4S,6R)-4-[2-[(5-fluoro-2-pyridinyl)oxy]ethyl]-3-azabicyclo[4.1.0]heptane-3-carboxylate is sourced from PubChem (CID 66742551), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).