tert-butyl (2S)-4-hydroxy-1,2-dimethylpyrrolidine-3-carboxylate

C11H21NO3 — CID 58781973

IUPACtert-butyl (2S)-4-hydroxy-1,2-dimethylpyrrolidine-3-carboxylate
SMILESC[C@H]1C(C(=O)OC(C)(C)C)C(O)CN1C
InChIInChI=1S/C11H21NO3/c1-7-9(8(13)6-12(7)5)10(14)15-11(2,3)4/h7-9,13H,6H2,1-5H3/t7-,8?,9?/m0/s1
InChIKeySSRSZNZNWIQLHZ-UEJVZZJDSA-N
MW215.29 g/mol
LogP0.64
Rot. Bonds1

About tert-butyl (2S)-4-hydroxy-1,2-dimethylpyrrolidine-3-carboxylate

tert-butyl (2S)-4-hydroxy-1,2-dimethylpyrrolidine-3-carboxylate (PubChem CID 58781973) has the molecular formula C11H21NO3 and a molecular weight of 215.29 g/mol. Its IUPAC name is tert-butyl (2S)-4-hydroxy-1,2-dimethylpyrrolidine-3-carboxylate.

Molecular Properties

Compound Nametert-butyl (2S)-4-hydroxy-1,2-dimethylpyrrolidine-3-carboxylate
PubChem CID58781973
Molecular FormulaC11H21NO3
Molecular Weight215.29 g/mol
Exact Mass215.15
IUPAC Nametert-butyl (2S)-4-hydroxy-1,2-dimethylpyrrolidine-3-carboxylate
SMILESC[C@H]1C(C(=O)OC(C)(C)C)C(O)CN1C
InChIInChI=1S/C11H21NO3/c1-7-9(8(13)6-12(7)5)10(14)15-11(2,3)4/h7-9,13H,6H2,1-5H3/t7-,8?,9?/m0/s1
InChIKeySSRSZNZNWIQLHZ-UEJVZZJDSA-N
XLogP0.64
TPSA49.77 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500215.29
LogP ≤ 50.64
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of tert-butyl (2S)-4-hydroxy-1,2-dimethylpyrrolidine-3-carboxylate?
The IUPAC name of tert-butyl (2S)-4-hydroxy-1,2-dimethylpyrrolidine-3-carboxylate (CID 58781973) is tert-butyl (2S)-4-hydroxy-1,2-dimethylpyrrolidine-3-carboxylate.
What is the SMILES notation for tert-butyl (2S)-4-hydroxy-1,2-dimethylpyrrolidine-3-carboxylate?
The canonical SMILES for tert-butyl (2S)-4-hydroxy-1,2-dimethylpyrrolidine-3-carboxylate is C[C@H]1C(C(=O)OC(C)(C)C)C(O)CN1C.
What is the InChIKey of tert-butyl (2S)-4-hydroxy-1,2-dimethylpyrrolidine-3-carboxylate?
The InChIKey is SSRSZNZNWIQLHZ-UEJVZZJDSA-N. The full InChI is InChI=1S/C11H21NO3/c1-7-9(8(13)6-12(7)5)10(14)15-11(2,3)4/h7-9,13H,6H2,1-5H3/t7-,8?,9?/m0/s1.
What are the key properties of tert-butyl (2S)-4-hydroxy-1,2-dimethylpyrrolidine-3-carboxylate?
tert-butyl (2S)-4-hydroxy-1,2-dimethylpyrrolidine-3-carboxylate has a molecular weight of 215.29 g/mol, XLogP of 0.64, 1 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl (2S)-4-hydroxy-1,2-dimethylpyrrolidine-3-carboxylate is sourced from PubChem (CID 58781973), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).