tert-butyl (2S)-2-pyrrolidin-1-ylpyrrolidine-1-carboxylate

C13H24N2O2 — CID 142630870

IUPACtert-butyl (2S)-2-pyrrolidin-1-ylpyrrolidine-1-carboxylate
SMILESCC(C)(C)OC(=O)N1CCC[C@H]1N1CCCC1
InChIInChI=1S/C13H24N2O2/c1-13(2,3)17-12(16)15-10-6-7-11(15)14-8-4-5-9-14/h11H,4-10H2,1-3H3/t11-/m0/s1
InChIKeyDPCJFACNAUKSAZ-NSHDSACASA-N
MW240.35 g/mol
LogP2.44
Rot. Bonds1

About tert-butyl (2S)-2-pyrrolidin-1-ylpyrrolidine-1-carboxylate

tert-butyl (2S)-2-pyrrolidin-1-ylpyrrolidine-1-carboxylate (PubChem CID 142630870) has the molecular formula C13H24N2O2 and a molecular weight of 240.35 g/mol. Its IUPAC name is tert-butyl (2S)-2-pyrrolidin-1-ylpyrrolidine-1-carboxylate.

Molecular Properties

Compound Nametert-butyl (2S)-2-pyrrolidin-1-ylpyrrolidine-1-carboxylate
PubChem CID142630870
Molecular FormulaC13H24N2O2
Molecular Weight240.35 g/mol
Exact Mass240.18
IUPAC Nametert-butyl (2S)-2-pyrrolidin-1-ylpyrrolidine-1-carboxylate
SMILESCC(C)(C)OC(=O)N1CCC[C@H]1N1CCCC1
InChIInChI=1S/C13H24N2O2/c1-13(2,3)17-12(16)15-10-6-7-11(15)14-8-4-5-9-14/h11H,4-10H2,1-3H3/t11-/m0/s1
InChIKeyDPCJFACNAUKSAZ-NSHDSACASA-N
XLogP2.44
TPSA32.78 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500240.35
LogP ≤ 52.44
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

tert-butyl (2R)-2-ethynylpyrrolidine-1-carboxylate
CID 10262067
tert-butyl (2R)-2-[(2S)-1-[(2-methylpropan-2-yl)oxycarbonyl]pyrrolidin-2-yl]pyrrolidine-1-carboxylate
CID 101323143
tert-butyl 2-(2-oxopyrrolidin-1-yl)pyrrolidine-1-carboxylate
CID 154707076
tert-butyl 2-hydroxypiperidine-1-carboxylate
CID 10655694
tert-butyl 2-methylpiperidine-1-carboxylate;ethane
CID 153328823
[(2R)-1-[(2-methylpropan-2-yl)oxycarbonyl]pyrrolidin-2-yl]boronic acid
CID 46856373
tert-butyl (2S)-2-(methylamino)pyrrolidine-1-carboxylate
CID 68972263
tert-butyl 2-(2-oxoimidazolidin-1-yl)piperidine-1-carboxylate
CID 141313979
(2R)-1-[(2-methylpropan-2-yl)oxycarbonyl]piperidine-2-carboxylic acid
CID 10704682
tert-butyl (2S)-2-carbonofluoridoylpyrrolidine-1-carboxylate
CID 10878587
tert-butyl (2R)-2-methoxypyrrolidine-1-carboxylate;methanol
CID 66592390
tert-butyl 2-methoxypiperidine-1-carboxylate
CID 11424460

Frequently Asked Questions

What is the IUPAC name of tert-butyl (2S)-2-pyrrolidin-1-ylpyrrolidine-1-carboxylate?
The IUPAC name of tert-butyl (2S)-2-pyrrolidin-1-ylpyrrolidine-1-carboxylate (CID 142630870) is tert-butyl (2S)-2-pyrrolidin-1-ylpyrrolidine-1-carboxylate.
What is the SMILES notation for tert-butyl (2S)-2-pyrrolidin-1-ylpyrrolidine-1-carboxylate?
The canonical SMILES for tert-butyl (2S)-2-pyrrolidin-1-ylpyrrolidine-1-carboxylate is CC(C)(C)OC(=O)N1CCC[C@H]1N1CCCC1.
What is the InChIKey of tert-butyl (2S)-2-pyrrolidin-1-ylpyrrolidine-1-carboxylate?
The InChIKey is DPCJFACNAUKSAZ-NSHDSACASA-N. The full InChI is InChI=1S/C13H24N2O2/c1-13(2,3)17-12(16)15-10-6-7-11(15)14-8-4-5-9-14/h11H,4-10H2,1-3H3/t11-/m0/s1.
What are the key properties of tert-butyl (2S)-2-pyrrolidin-1-ylpyrrolidine-1-carboxylate?
tert-butyl (2S)-2-pyrrolidin-1-ylpyrrolidine-1-carboxylate has a molecular weight of 240.35 g/mol, XLogP of 2.44, 1 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl (2S)-2-pyrrolidin-1-ylpyrrolidine-1-carboxylate is sourced from PubChem (CID 142630870), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).