tert-butyl 2,2-dimethyl-4-propylpyrrolidine-1-carboxylate

C14H27NO2 — CID 153335647

IUPACtert-butyl 2,2-dimethyl-4-propylpyrrolidine-1-carboxylate
SMILESCCCC1CN(C(=O)OC(C)(C)C)C(C)(C)C1
InChIInChI=1S/C14H27NO2/c1-7-8-11-9-14(5,6)15(10-11)12(16)17-13(2,3)4/h11H,7-10H2,1-6H3
InChIKeyNPUWGBVTXLWSKC-UHFFFAOYSA-N
MW241.37 g/mol
LogP3.82
Rot. Bonds2

About tert-butyl 2,2-dimethyl-4-propylpyrrolidine-1-carboxylate

tert-butyl 2,2-dimethyl-4-propylpyrrolidine-1-carboxylate (PubChem CID 153335647) has the molecular formula C14H27NO2 and a molecular weight of 241.37 g/mol. Its IUPAC name is tert-butyl 2,2-dimethyl-4-propylpyrrolidine-1-carboxylate.

Molecular Properties

Compound Nametert-butyl 2,2-dimethyl-4-propylpyrrolidine-1-carboxylate
PubChem CID153335647
Molecular FormulaC14H27NO2
Molecular Weight241.37 g/mol
Exact Mass241.20
IUPAC Nametert-butyl 2,2-dimethyl-4-propylpyrrolidine-1-carboxylate
SMILESCCCC1CN(C(=O)OC(C)(C)C)C(C)(C)C1
InChIInChI=1S/C14H27NO2/c1-7-8-11-9-14(5,6)15(10-11)12(16)17-13(2,3)4/h11H,7-10H2,1-6H3
InChIKeyNPUWGBVTXLWSKC-UHFFFAOYSA-N
XLogP3.82
TPSA29.54 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500241.37
LogP ≤ 53.82
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Analyze tert-butyl 2,2-dimethyl-4-propylpyrrolidine-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 (4S)-4-(2-aminoethyl)-2,2-dimethylpyrrolidine-1-carboxylate
CID 139416435
tert-butyl 4-(5-hydroxypentyl)-2,2-dimethylpyrrolidine-1-carboxylate
CID 139389237
tert-butyl (4S)-4-(5-aminopentyl)-2,2-dimethylpyrrolidine-1-carboxylate
CID 139416268
bis(tert-butyl (4S)-4-(3-aminopropyl)-2,2-dimethylpyrrolidine-1-carboxylate);oxalic acid
CID 175729197
tert-butyl 2,2-dimethyl-4-[4-(methylamino)butyl]pyrrolidine-1-carboxylate
CID 139389032
tert-butyl (4S)-4-(4,4-dimethyl-2-methylidenepentyl)-2,2-dimethylpyrrolidine-1-carboxylate;tert-butyl (4R)-4-(4,4-dimethyl-2-oxopentyl)-2,2-dimethylpyrrolidine-1-carboxylate
CID 167532797
tert-butyl 4-[4-(4-aminosulfanylphenoxy)butyl]-2,2-dimethylpyrrolidine-1-carboxylate
CID 139428432
tert-butyl (4S)-4-(3-tert-butylsulfinyliminopropyl)-2,2-dimethylpyrrolidine-1-carboxylate;tert-butyl (4S)-2,2-dimethyl-4-(3-oxopropyl)pyrrolidine-1-carboxylate;(S)-2-methylpropane-2-sulfinamide
CID 167641654
CID 156639620
CID 156639620
tert-butyl 4-[4-(3-aminosulfanylpyrazol-1-yl)butyl]-2,2-dimethylpyrrolidine-1-carboxylate
CID 139428627
tert-butyl (4R)-2,2-dimethyl-4-[3-(phenylmethoxycarbonylamino)propyl]pyrrolidine-1-carboxylate
CID 156623703
tert-butyl (4S)-2,2-dimethyl-4-[2-[(6-sulfamoyl-2-pyridinyl)amino]ethyl]pyrrolidine-1-carboxylate
CID 139416333

Frequently Asked Questions

What is the IUPAC name of tert-butyl 2,2-dimethyl-4-propylpyrrolidine-1-carboxylate?
The IUPAC name of tert-butyl 2,2-dimethyl-4-propylpyrrolidine-1-carboxylate (CID 153335647) is tert-butyl 2,2-dimethyl-4-propylpyrrolidine-1-carboxylate.
What is the SMILES notation for tert-butyl 2,2-dimethyl-4-propylpyrrolidine-1-carboxylate?
The canonical SMILES for tert-butyl 2,2-dimethyl-4-propylpyrrolidine-1-carboxylate is CCCC1CN(C(=O)OC(C)(C)C)C(C)(C)C1.
What is the InChIKey of tert-butyl 2,2-dimethyl-4-propylpyrrolidine-1-carboxylate?
The InChIKey is NPUWGBVTXLWSKC-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H27NO2/c1-7-8-11-9-14(5,6)15(10-11)12(16)17-13(2,3)4/h11H,7-10H2,1-6H3.
What are the key properties of tert-butyl 2,2-dimethyl-4-propylpyrrolidine-1-carboxylate?
tert-butyl 2,2-dimethyl-4-propylpyrrolidine-1-carboxylate has a molecular weight of 241.37 g/mol, XLogP of 3.82, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl 2,2-dimethyl-4-propylpyrrolidine-1-carboxylate is sourced from PubChem (CID 153335647), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).