tert-butyl (3R)-3-pyridin-4-ylpyrrolidine-1-carboxylate

C14H20N2O2 — CID 86336206

IUPACtert-butyl (3R)-3-pyridin-4-ylpyrrolidine-1-carboxylate
SMILESCC(C)(C)OC(=O)N1CC[C@H](c2ccncc2)C1
InChIInChI=1S/C14H20N2O2/c1-14(2,3)18-13(17)16-9-6-12(10-16)11-4-7-15-8-5-11/h4-5,7-8,12H,6,9-10H2,1-3H3/t12-/m0/s1
InChIKeyLOTBGBMAQSVUKN-LBPRGKRZSA-N
MW248.33 g/mol
LogP2.81
Rot. Bonds1

About tert-butyl (3R)-3-pyridin-4-ylpyrrolidine-1-carboxylate

tert-butyl (3R)-3-pyridin-4-ylpyrrolidine-1-carboxylate (PubChem CID 86336206) has the molecular formula C14H20N2O2 and a molecular weight of 248.33 g/mol. Its IUPAC name is tert-butyl (3R)-3-pyridin-4-ylpyrrolidine-1-carboxylate.

Molecular Properties

Compound Nametert-butyl (3R)-3-pyridin-4-ylpyrrolidine-1-carboxylate
PubChem CID86336206
Molecular FormulaC14H20N2O2
Molecular Weight248.33 g/mol
Exact Mass248.15
IUPAC Nametert-butyl (3R)-3-pyridin-4-ylpyrrolidine-1-carboxylate
SMILESCC(C)(C)OC(=O)N1CC[C@H](c2ccncc2)C1
InChIInChI=1S/C14H20N2O2/c1-14(2,3)18-13(17)16-9-6-12(10-16)11-4-7-15-8-5-11/h4-5,7-8,12H,6,9-10H2,1-3H3/t12-/m0/s1
InChIKeyLOTBGBMAQSVUKN-LBPRGKRZSA-N
XLogP2.81
TPSA42.43 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500248.33
LogP ≤ 52.81
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Analyze tert-butyl (3R)-3-pyridin-4-ylpyrrolidine-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 3-pyridin-4-ylpiperidine-1-carboxylate
CID 164734560
tert-butyl 3-(4-tert-butylphenyl)pyrrolidine-1-carboxylate
CID 169495150
tert-butyl (3R,4R)-3-amino-4-pyridin-4-ylpiperidine-1-carboxylate
CID 97357623
tert-butyl 3-[4-(methylamino)phenyl]pyrrolidine-1-carboxylate
CID 58315636
tert-butyl 3-[4-(dimethylamino)phenyl]pyrrolidine-1-carboxylate
CID 151030118
tert-butyl 3-(2,6-dimethyl-4-pyridinyl)pyrrolidine-1-carboxylate
CID 135135114
tert-butyl 3-phenylpiperidine-1-carboxylate
CID 57440165
tert-butyl 3-(6-fluoro-3-pyridinyl)pyrrolidine-1-carboxylate
CID 146204566
tert-butyl (3S)-3-(4-isocyanatophenyl)pyrrolidine-1-carboxylate
CID 87320464
tert-butyl 3-(4-methoxy-3,5-dimethylphenyl)pyrrolidine-1-carboxylate
CID 169498563
tert-butyl 3-(pyridin-4-ylmethyl)pyrrolidine-1-carboxylate
CID 170629812
tert-butyl 3-(3-methoxy-4-methylphenyl)pyrrolidine-1-carboxylate
CID 169494828

Frequently Asked Questions

What is the IUPAC name of tert-butyl (3R)-3-pyridin-4-ylpyrrolidine-1-carboxylate?
The IUPAC name of tert-butyl (3R)-3-pyridin-4-ylpyrrolidine-1-carboxylate (CID 86336206) is tert-butyl (3R)-3-pyridin-4-ylpyrrolidine-1-carboxylate.
What is the SMILES notation for tert-butyl (3R)-3-pyridin-4-ylpyrrolidine-1-carboxylate?
The canonical SMILES for tert-butyl (3R)-3-pyridin-4-ylpyrrolidine-1-carboxylate is CC(C)(C)OC(=O)N1CC[C@H](c2ccncc2)C1.
What is the InChIKey of tert-butyl (3R)-3-pyridin-4-ylpyrrolidine-1-carboxylate?
The InChIKey is LOTBGBMAQSVUKN-LBPRGKRZSA-N. The full InChI is InChI=1S/C14H20N2O2/c1-14(2,3)18-13(17)16-9-6-12(10-16)11-4-7-15-8-5-11/h4-5,7-8,12H,6,9-10H2,1-3H3/t12-/m0/s1.
What are the key properties of tert-butyl (3R)-3-pyridin-4-ylpyrrolidine-1-carboxylate?
tert-butyl (3R)-3-pyridin-4-ylpyrrolidine-1-carboxylate has a molecular weight of 248.33 g/mol, XLogP of 2.81, 1 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl (3R)-3-pyridin-4-ylpyrrolidine-1-carboxylate is sourced from PubChem (CID 86336206), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).