tert-butyl (2R)-1-(2-hydroxyethyl)pyrrolidine-2-carboxylate

C11H21NO3 — CID 80709743

IUPACtert-butyl (2R)-1-(2-hydroxyethyl)pyrrolidine-2-carboxylate
SMILESCC(C)(C)OC(=O)[C@H]1CCCN1CCO
InChIInChI=1S/C11H21NO3/c1-11(2,3)15-10(14)9-5-4-6-12(9)7-8-13/h9,13H,4-8H2,1-3H3/t9-/m1/s1
InChIKeyYXGTTXZREDKWEY-SECBINFHSA-N
MW215.29 g/mol
LogP0.78
Rot. Bonds3

About tert-butyl (2R)-1-(2-hydroxyethyl)pyrrolidine-2-carboxylate

tert-butyl (2R)-1-(2-hydroxyethyl)pyrrolidine-2-carboxylate (PubChem CID 80709743) has the molecular formula C11H21NO3 and a molecular weight of 215.29 g/mol. Its IUPAC name is tert-butyl (2R)-1-(2-hydroxyethyl)pyrrolidine-2-carboxylate.

Molecular Properties

Compound Nametert-butyl (2R)-1-(2-hydroxyethyl)pyrrolidine-2-carboxylate
PubChem CID80709743
Molecular FormulaC11H21NO3
Molecular Weight215.29 g/mol
Exact Mass215.15
IUPAC Nametert-butyl (2R)-1-(2-hydroxyethyl)pyrrolidine-2-carboxylate
SMILESCC(C)(C)OC(=O)[C@H]1CCCN1CCO
InChIInChI=1S/C11H21NO3/c1-11(2,3)15-10(14)9-5-4-6-12(9)7-8-13/h9,13H,4-8H2,1-3H3/t9-/m1/s1
InChIKeyYXGTTXZREDKWEY-SECBINFHSA-N
XLogP0.78
TPSA49.77 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500215.29
LogP ≤ 50.78
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of tert-butyl (2R)-1-(2-hydroxyethyl)pyrrolidine-2-carboxylate?
The IUPAC name of tert-butyl (2R)-1-(2-hydroxyethyl)pyrrolidine-2-carboxylate (CID 80709743) is tert-butyl (2R)-1-(2-hydroxyethyl)pyrrolidine-2-carboxylate.
What is the SMILES notation for tert-butyl (2R)-1-(2-hydroxyethyl)pyrrolidine-2-carboxylate?
The canonical SMILES for tert-butyl (2R)-1-(2-hydroxyethyl)pyrrolidine-2-carboxylate is CC(C)(C)OC(=O)[C@H]1CCCN1CCO.
What is the InChIKey of tert-butyl (2R)-1-(2-hydroxyethyl)pyrrolidine-2-carboxylate?
The InChIKey is YXGTTXZREDKWEY-SECBINFHSA-N. The full InChI is InChI=1S/C11H21NO3/c1-11(2,3)15-10(14)9-5-4-6-12(9)7-8-13/h9,13H,4-8H2,1-3H3/t9-/m1/s1.
What are the key properties of tert-butyl (2R)-1-(2-hydroxyethyl)pyrrolidine-2-carboxylate?
tert-butyl (2R)-1-(2-hydroxyethyl)pyrrolidine-2-carboxylate has a molecular weight of 215.29 g/mol, XLogP of 0.78, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl (2R)-1-(2-hydroxyethyl)pyrrolidine-2-carboxylate is sourced from PubChem (CID 80709743), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).