tert-butyl (2S)-2-(2-aminoethyl)pyrrolidine-1-carboxylate

C11H22N2O2 — CID 7016511

IUPACtert-butyl (2S)-2-(2-aminoethyl)pyrrolidine-1-carboxylate
SMILESCC(C)(C)OC(=O)N1CCC[C@H]1CCN
InChIInChI=1S/C11H22N2O2/c1-11(2,3)15-10(14)13-8-4-5-9(13)6-7-12/h9H,4-8,12H2,1-3H3/t9-/m0/s1
InChIKeyVCYKQOGWPICUKV-VIFPVBQESA-N
MW214.31 g/mol
LogP1.73
Rot. Bonds2

About tert-butyl (2S)-2-(2-aminoethyl)pyrrolidine-1-carboxylate

tert-butyl (2S)-2-(2-aminoethyl)pyrrolidine-1-carboxylate (PubChem CID 7016511) has the molecular formula C11H22N2O2 and a molecular weight of 214.31 g/mol. Its IUPAC name is tert-butyl (2S)-2-(2-aminoethyl)pyrrolidine-1-carboxylate.

Molecular Properties

Compound Nametert-butyl (2S)-2-(2-aminoethyl)pyrrolidine-1-carboxylate
PubChem CID7016511
Molecular FormulaC11H22N2O2
Molecular Weight214.31 g/mol
Exact Mass214.17
IUPAC Nametert-butyl (2S)-2-(2-aminoethyl)pyrrolidine-1-carboxylate
SMILESCC(C)(C)OC(=O)N1CCC[C@H]1CCN
InChIInChI=1S/C11H22N2O2/c1-11(2,3)15-10(14)13-8-4-5-9(13)6-7-12/h9H,4-8,12H2,1-3H3/t9-/m0/s1
InChIKeyVCYKQOGWPICUKV-VIFPVBQESA-N
XLogP1.73
TPSA55.56 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500214.31
LogP ≤ 51.73
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of tert-butyl (2S)-2-(2-aminoethyl)pyrrolidine-1-carboxylate?
The IUPAC name of tert-butyl (2S)-2-(2-aminoethyl)pyrrolidine-1-carboxylate (CID 7016511) is tert-butyl (2S)-2-(2-aminoethyl)pyrrolidine-1-carboxylate.
What is the SMILES notation for tert-butyl (2S)-2-(2-aminoethyl)pyrrolidine-1-carboxylate?
The canonical SMILES for tert-butyl (2S)-2-(2-aminoethyl)pyrrolidine-1-carboxylate is CC(C)(C)OC(=O)N1CCC[C@H]1CCN.
What is the InChIKey of tert-butyl (2S)-2-(2-aminoethyl)pyrrolidine-1-carboxylate?
The InChIKey is VCYKQOGWPICUKV-VIFPVBQESA-N. The full InChI is InChI=1S/C11H22N2O2/c1-11(2,3)15-10(14)13-8-4-5-9(13)6-7-12/h9H,4-8,12H2,1-3H3/t9-/m0/s1.
What are the key properties of tert-butyl (2S)-2-(2-aminoethyl)pyrrolidine-1-carboxylate?
tert-butyl (2S)-2-(2-aminoethyl)pyrrolidine-1-carboxylate has a molecular weight of 214.31 g/mol, XLogP of 1.73, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl (2S)-2-(2-aminoethyl)pyrrolidine-1-carboxylate is sourced from PubChem (CID 7016511), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).