tert-butyl (2R)-1-[(5-methyloxolan-2-yl)methyl]pyrrolidine-2-carboxylate

C15H27NO3 — CID 103137539

IUPACtert-butyl (2R)-1-[(5-methyloxolan-2-yl)methyl]pyrrolidine-2-carboxylate
SMILESCC1CCC(CN2CCC[C@@H]2C(=O)OC(C)(C)C)O1
InChIInChI=1S/C15H27NO3/c1-11-7-8-12(18-11)10-16-9-5-6-13(16)14(17)19-15(2,3)4/h11-13H,5-10H2,1-4H3/t11?,12?,13-/m1/s1
InChIKeyIXTXQGBMEMWBKP-WXRRBKDZSA-N
MW269.38 g/mol
LogP2.36
Rot. Bonds3

About tert-butyl (2R)-1-[(5-methyloxolan-2-yl)methyl]pyrrolidine-2-carboxylate

tert-butyl (2R)-1-[(5-methyloxolan-2-yl)methyl]pyrrolidine-2-carboxylate (PubChem CID 103137539) has the molecular formula C15H27NO3 and a molecular weight of 269.38 g/mol. Its IUPAC name is tert-butyl (2R)-1-[(5-methyloxolan-2-yl)methyl]pyrrolidine-2-carboxylate.

Molecular Properties

Compound Nametert-butyl (2R)-1-[(5-methyloxolan-2-yl)methyl]pyrrolidine-2-carboxylate
PubChem CID103137539
Molecular FormulaC15H27NO3
Molecular Weight269.38 g/mol
Exact Mass269.20
IUPAC Nametert-butyl (2R)-1-[(5-methyloxolan-2-yl)methyl]pyrrolidine-2-carboxylate
SMILESCC1CCC(CN2CCC[C@@H]2C(=O)OC(C)(C)C)O1
InChIInChI=1S/C15H27NO3/c1-11-7-8-12(18-11)10-16-9-5-6-13(16)14(17)19-15(2,3)4/h11-13H,5-10H2,1-4H3/t11?,12?,13-/m1/s1
InChIKeyIXTXQGBMEMWBKP-WXRRBKDZSA-N
XLogP2.36
TPSA38.77 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500269.38
LogP ≤ 52.36
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of tert-butyl (2R)-1-[(5-methyloxolan-2-yl)methyl]pyrrolidine-2-carboxylate?
The IUPAC name of tert-butyl (2R)-1-[(5-methyloxolan-2-yl)methyl]pyrrolidine-2-carboxylate (CID 103137539) is tert-butyl (2R)-1-[(5-methyloxolan-2-yl)methyl]pyrrolidine-2-carboxylate.
What is the SMILES notation for tert-butyl (2R)-1-[(5-methyloxolan-2-yl)methyl]pyrrolidine-2-carboxylate?
The canonical SMILES for tert-butyl (2R)-1-[(5-methyloxolan-2-yl)methyl]pyrrolidine-2-carboxylate is CC1CCC(CN2CCC[C@@H]2C(=O)OC(C)(C)C)O1.
What is the InChIKey of tert-butyl (2R)-1-[(5-methyloxolan-2-yl)methyl]pyrrolidine-2-carboxylate?
The InChIKey is IXTXQGBMEMWBKP-WXRRBKDZSA-N. The full InChI is InChI=1S/C15H27NO3/c1-11-7-8-12(18-11)10-16-9-5-6-13(16)14(17)19-15(2,3)4/h11-13H,5-10H2,1-4H3/t11?,12?,13-/m1/s1.
What are the key properties of tert-butyl (2R)-1-[(5-methyloxolan-2-yl)methyl]pyrrolidine-2-carboxylate?
tert-butyl (2R)-1-[(5-methyloxolan-2-yl)methyl]pyrrolidine-2-carboxylate has a molecular weight of 269.38 g/mol, XLogP of 2.36, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl (2R)-1-[(5-methyloxolan-2-yl)methyl]pyrrolidine-2-carboxylate is sourced from PubChem (CID 103137539), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).