tert-butyl (2R)-1-(2-oxooxolan-3-yl)pyrrolidine-2-carboxylate

C13H21NO4 — CID 115537683

IUPACtert-butyl (2R)-1-(2-oxooxolan-3-yl)pyrrolidine-2-carboxylate
SMILESCC(C)(C)OC(=O)[C@H]1CCCN1C1CCOC1=O
InChIInChI=1S/C13H21NO4/c1-13(2,3)18-12(16)9-5-4-7-14(9)10-6-8-17-11(10)15/h9-10H,4-8H2,1-3H3/t9-,10?/m1/s1
InChIKeyVKTOFFHOLUAZRG-YHMJZVADSA-N
MW255.31 g/mol
LogP1.11
Rot. Bonds2

About tert-butyl (2R)-1-(2-oxooxolan-3-yl)pyrrolidine-2-carboxylate

tert-butyl (2R)-1-(2-oxooxolan-3-yl)pyrrolidine-2-carboxylate (PubChem CID 115537683) has the molecular formula C13H21NO4 and a molecular weight of 255.31 g/mol. Its IUPAC name is tert-butyl (2R)-1-(2-oxooxolan-3-yl)pyrrolidine-2-carboxylate.

Molecular Properties

Compound Nametert-butyl (2R)-1-(2-oxooxolan-3-yl)pyrrolidine-2-carboxylate
PubChem CID115537683
Molecular FormulaC13H21NO4
Molecular Weight255.31 g/mol
Exact Mass255.15
IUPAC Nametert-butyl (2R)-1-(2-oxooxolan-3-yl)pyrrolidine-2-carboxylate
SMILESCC(C)(C)OC(=O)[C@H]1CCCN1C1CCOC1=O
InChIInChI=1S/C13H21NO4/c1-13(2,3)18-12(16)9-5-4-7-14(9)10-6-8-17-11(10)15/h9-10H,4-8H2,1-3H3/t9-,10?/m1/s1
InChIKeyVKTOFFHOLUAZRG-YHMJZVADSA-N
XLogP1.11
TPSA55.84 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500255.31
LogP ≤ 51.11
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

methyl 1-(2-oxooxolan-3-yl)pyrrolidine-2-carboxylate
CID 62028796
tert-butyl (2S)-1-(1-methyl-2,5-dioxopyrrolidin-3-yl)pyrrolidine-2-carboxylate
CID 107358215
tert-butyl 1-hydroxypyrrolidine-2-carboxylate
CID 22666904
tert-butyl (2S)-1-(4-methylcyclohexyl)pyrrolidine-2-carboxylate
CID 115537275
tert-butyl (2R)-1-(2-ethylcyclohexyl)pyrrolidine-2-carboxylate
CID 115537695
tert-butyl (3R)-1-methyl-2-oxopiperidine-3-carboxylate
CID 125474939
tert-butyl (4S,7S)-7-amino-6-oxo-1,2,3,4,7,8,9,10-octahydropyridazino[1,2-a]diazepine-4-carboxylate
CID 11543750
(2S)-2-[(2-methylpropan-2-yl)oxycarbonyl]pyrrolidine-1-carboxylic acid
CID 13299703
2-[2-[(2-methylpropan-2-yl)oxycarbonyl]pyrrolidin-1-yl]acetic acid
CID 67010129
2-[(2S)-2-[(2-methylpropan-2-yl)oxycarbonyl]pyrrolidin-1-yl]acetic acid
CID 67010126
tert-butyl 1-(2,2-dimethyl-4,6-dioxo-1,3-dioxane-5-carbonyl)pyrrolidine-2-carboxylate
CID 176636436
tert-butyl (2R)-1-(2-morpholin-4-yl-2-oxoethyl)pyrrolidine-2-carboxylate
CID 80712298

Frequently Asked Questions

What is the IUPAC name of tert-butyl (2R)-1-(2-oxooxolan-3-yl)pyrrolidine-2-carboxylate?
The IUPAC name of tert-butyl (2R)-1-(2-oxooxolan-3-yl)pyrrolidine-2-carboxylate (CID 115537683) is tert-butyl (2R)-1-(2-oxooxolan-3-yl)pyrrolidine-2-carboxylate.
What is the SMILES notation for tert-butyl (2R)-1-(2-oxooxolan-3-yl)pyrrolidine-2-carboxylate?
The canonical SMILES for tert-butyl (2R)-1-(2-oxooxolan-3-yl)pyrrolidine-2-carboxylate is CC(C)(C)OC(=O)[C@H]1CCCN1C1CCOC1=O.
What is the InChIKey of tert-butyl (2R)-1-(2-oxooxolan-3-yl)pyrrolidine-2-carboxylate?
The InChIKey is VKTOFFHOLUAZRG-YHMJZVADSA-N. The full InChI is InChI=1S/C13H21NO4/c1-13(2,3)18-12(16)9-5-4-7-14(9)10-6-8-17-11(10)15/h9-10H,4-8H2,1-3H3/t9-,10?/m1/s1.
What are the key properties of tert-butyl (2R)-1-(2-oxooxolan-3-yl)pyrrolidine-2-carboxylate?
tert-butyl (2R)-1-(2-oxooxolan-3-yl)pyrrolidine-2-carboxylate has a molecular weight of 255.31 g/mol, XLogP of 1.11, 2 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl (2R)-1-(2-oxooxolan-3-yl)pyrrolidine-2-carboxylate is sourced from PubChem (CID 115537683), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).