tert-butyl (2R,4R)-2-ethenyl-4-[(6-methoxy-3-pyridinyl)oxy]pyrrolidine-1-carboxylate

C17H24N2O4 — CID 156738685

IUPACtert-butyl (2R,4R)-2-ethenyl-4-[(6-methoxy-3-pyridinyl)oxy]pyrrolidine-1-carboxylate
SMILESC=C[C@H]1C[C@@H](Oc2ccc(OC)nc2)CN1C(=O)OC(C)(C)C
InChIInChI=1S/C17H24N2O4/c1-6-12-9-14(11-19(12)16(20)23-17(2,3)4)22-13-7-8-15(21-5)18-10-13/h6-8,10,12,14H,1,9,11H2,2-5H3/t12-,14+/m0/s1
InChIKeyJGUABUHUSRGWCO-GXTWGEPZSA-N
MW320.39 g/mol
LogP3.03
Rot. Bonds4

About tert-butyl (2R,4R)-2-ethenyl-4-[(6-methoxy-3-pyridinyl)oxy]pyrrolidine-1-carboxylate

tert-butyl (2R,4R)-2-ethenyl-4-[(6-methoxy-3-pyridinyl)oxy]pyrrolidine-1-carboxylate (PubChem CID 156738685) has the molecular formula C17H24N2O4 and a molecular weight of 320.39 g/mol. Its IUPAC name is tert-butyl (2R,4R)-2-ethenyl-4-[(6-methoxy-3-pyridinyl)oxy]pyrrolidine-1-carboxylate.

Molecular Properties

Compound Nametert-butyl (2R,4R)-2-ethenyl-4-[(6-methoxy-3-pyridinyl)oxy]pyrrolidine-1-carboxylate
PubChem CID156738685
Molecular FormulaC17H24N2O4
Molecular Weight320.39 g/mol
Exact Mass320.17
IUPAC Nametert-butyl (2R,4R)-2-ethenyl-4-[(6-methoxy-3-pyridinyl)oxy]pyrrolidine-1-carboxylate
SMILESC=C[C@H]1C[C@@H](Oc2ccc(OC)nc2)CN1C(=O)OC(C)(C)C
InChIInChI=1S/C17H24N2O4/c1-6-12-9-14(11-19(12)16(20)23-17(2,3)4)22-13-7-8-15(21-5)18-10-13/h6-8,10,12,14H,1,9,11H2,2-5H3/t12-,14+/m0/s1
InChIKeyJGUABUHUSRGWCO-GXTWGEPZSA-N
XLogP3.03
TPSA60.89 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500320.39
LogP ≤ 53.03
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

Analyze tert-butyl (2R,4R)-2-ethenyl-4-[(6-methoxy-3-pyridinyl)oxy]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 5-[(6-methoxy-3-pyridinyl)oxy]-3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrole-2-carboxylate;5-[(6-methoxy-3-pyridinyl)oxy]-1,2,3,3a,4,5,6,6a-octahydrocyclopenta[c]pyrrole;2,2,2-trifluoroacetaldehyde
CID 167709637
1-O-tert-butyl 2-O-methyl (2S,4S)-4-[[6-(trifluoromethyl)-3-pyridinyl]oxy]pyrrolidine-1,2-dicarboxylate
CID 165147870
tert-butyl (2S,4R)-4-(6-methoxypyrimidin-4-yl)oxy-2-methylpyrrolidine-1-carboxylate
CID 147795105
tert-butyl 2-ethenyl-4-phenylpyrrolidine-1-carboxylate
CID 90383971
tert-butyl 3-(6-methoxy-3-pyridinyl)piperidine-1-carboxylate
CID 163238292
tert-butyl 3-[(6-chloro-3-pyridinyl)oxy]pyrrolidine-1-carboxylate
CID 86696181
tert-butyl 4-[(6-bromo-3-pyridinyl)oxy]piperidine-1-carboxylate
CID 119087105
tert-butyl 3-[(6-cyano-3-pyridinyl)oxy]azetidine-1-carboxylate
CID 162385936
(2S,4S)-1-[(2-methylpropan-2-yl)oxycarbonyl]-4-pyridin-3-yloxypyrrolidine-2-carboxylic acid
CID 24902608
1-O-tert-butyl 2-O-methyl (2S,4S)-4-[[5-(trifluoromethyl)-2-pyridinyl]oxy]pyrrolidine-1,2-dicarboxylate
CID 124522604
1-[(2-methylpropan-2-yl)oxycarbonyl]-4-[[5-(trifluoromethyl)-2-pyridinyl]oxy]pyrrolidine-2-carboxylic acid
CID 74349786
(2S)-1-[(2-methylpropan-2-yl)oxycarbonyl]-4-[[5-(trifluoromethyl)-2-pyridinyl]oxy]pyrrolidine-2-carboxylic acid
CID 175576210

Frequently Asked Questions

What is the IUPAC name of tert-butyl (2R,4R)-2-ethenyl-4-[(6-methoxy-3-pyridinyl)oxy]pyrrolidine-1-carboxylate?
The IUPAC name of tert-butyl (2R,4R)-2-ethenyl-4-[(6-methoxy-3-pyridinyl)oxy]pyrrolidine-1-carboxylate (CID 156738685) is tert-butyl (2R,4R)-2-ethenyl-4-[(6-methoxy-3-pyridinyl)oxy]pyrrolidine-1-carboxylate.
What is the SMILES notation for tert-butyl (2R,4R)-2-ethenyl-4-[(6-methoxy-3-pyridinyl)oxy]pyrrolidine-1-carboxylate?
The canonical SMILES for tert-butyl (2R,4R)-2-ethenyl-4-[(6-methoxy-3-pyridinyl)oxy]pyrrolidine-1-carboxylate is C=C[C@H]1C[C@@H](Oc2ccc(OC)nc2)CN1C(=O)OC(C)(C)C.
What is the InChIKey of tert-butyl (2R,4R)-2-ethenyl-4-[(6-methoxy-3-pyridinyl)oxy]pyrrolidine-1-carboxylate?
The InChIKey is JGUABUHUSRGWCO-GXTWGEPZSA-N. The full InChI is InChI=1S/C17H24N2O4/c1-6-12-9-14(11-19(12)16(20)23-17(2,3)4)22-13-7-8-15(21-5)18-10-13/h6-8,10,12,14H,1,9,11H2,2-5H3/t12-,14+/m0/s1.
What are the key properties of tert-butyl (2R,4R)-2-ethenyl-4-[(6-methoxy-3-pyridinyl)oxy]pyrrolidine-1-carboxylate?
tert-butyl (2R,4R)-2-ethenyl-4-[(6-methoxy-3-pyridinyl)oxy]pyrrolidine-1-carboxylate has a molecular weight of 320.39 g/mol, XLogP of 3.03, 4 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl (2R,4R)-2-ethenyl-4-[(6-methoxy-3-pyridinyl)oxy]pyrrolidine-1-carboxylate is sourced from PubChem (CID 156738685), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).