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

C14H24N2O3 — CID 143878743

IUPACtert-butyl (3R)-3-(3-methyl-2-oxopyrrolidin-1-yl)pyrrolidine-1-carboxylate
SMILESCC1CCN([C@@H]2CCN(C(=O)OC(C)(C)C)C2)C1=O
InChIInChI=1S/C14H24N2O3/c1-10-5-8-16(12(10)17)11-6-7-15(9-11)13(18)19-14(2,3)4/h10-11H,5-9H2,1-4H3/t10?,11-/m1/s1
InChIKeyCLIMNKHCKHNFOR-RRKGBCIJSA-N
MW268.36 g/mol
LogP1.86
Rot. Bonds1

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

tert-butyl (3R)-3-(3-methyl-2-oxopyrrolidin-1-yl)pyrrolidine-1-carboxylate (PubChem CID 143878743) has the molecular formula C14H24N2O3 and a molecular weight of 268.36 g/mol. Its IUPAC name is tert-butyl (3R)-3-(3-methyl-2-oxopyrrolidin-1-yl)pyrrolidine-1-carboxylate.

Molecular Properties

Compound Nametert-butyl (3R)-3-(3-methyl-2-oxopyrrolidin-1-yl)pyrrolidine-1-carboxylate
PubChem CID143878743
Molecular FormulaC14H24N2O3
Molecular Weight268.36 g/mol
Exact Mass268.18
IUPAC Nametert-butyl (3R)-3-(3-methyl-2-oxopyrrolidin-1-yl)pyrrolidine-1-carboxylate
SMILESCC1CCN([C@@H]2CCN(C(=O)OC(C)(C)C)C2)C1=O
InChIInChI=1S/C14H24N2O3/c1-10-5-8-16(12(10)17)11-6-7-15(9-11)13(18)19-14(2,3)4/h10-11H,5-9H2,1-4H3/t10?,11-/m1/s1
InChIKeyCLIMNKHCKHNFOR-RRKGBCIJSA-N
XLogP1.86
TPSA49.85 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500268.36
LogP ≤ 51.86
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

Tert-butyl 3-[2-fluoroethyl(2-methylpropanoyl)amino]pyrrolidine-1-carboxylate
CID 171505452
tert-butyl (3R)-3-(3,3-difluoropyrrolidine-1-carbonyl)pyrrolidine-1-carboxylate
CID 57388023
tert-butyl 3-(N-methylacetamido)pyrrolidine-1-carboxylate
CID 20829970
Tert-butyl 3-(dimethylcarbamoyl)pyrrolidine-1-carboxylate
CID 21301408
tert-butyl N-methyl-N-[1-(2-methylpropanoyl)pyrrolidin-3-yl]carbamate
CID 22954193
1,1-Dimethylethyl ethyl[(3R)-1-(2-methylpropanoyl)-3-pyrrolidinyl]carbamate
CID 53340240
tert-Butyl (3aRS,6aRS)-1-acetylhexahydropyrrolo[3,4-b]pyrrole-5(1H)-carboxylate
CID 57497870
tert-butyl N-[(3S,4S)-4-(2-oxopyrrolidin-1-yl)pyrrolidin-3-yl]carbamate
CID 57559187
tert-butyl N-[2-[3-[acetyl(methyl)amino]pyrrolidin-1-yl]ethyl]-N-methylcarbamate
CID 57572121
Tert-butyl 3-methyl-4-(3-methyl-2-oxoimidazolidin-1-yl)pyrrolidine-1-carboxylate
CID 58356141
tert-butyl (3R)-3-(3-bromo-2-oxopyrrolidin-1-yl)pyrrolidine-1-carboxylate
CID 58430292
Tert-butyl (3r)-3-[acetyl(methyl)amino]-1-pyrrolidinecarboxylate
CID 58649105

Frequently Asked Questions

What is the IUPAC name of tert-butyl (3R)-3-(3-methyl-2-oxopyrrolidin-1-yl)pyrrolidine-1-carboxylate?
The IUPAC name of tert-butyl (3R)-3-(3-methyl-2-oxopyrrolidin-1-yl)pyrrolidine-1-carboxylate (CID 143878743) is tert-butyl (3R)-3-(3-methyl-2-oxopyrrolidin-1-yl)pyrrolidine-1-carboxylate.
What is the SMILES notation for tert-butyl (3R)-3-(3-methyl-2-oxopyrrolidin-1-yl)pyrrolidine-1-carboxylate?
The canonical SMILES for tert-butyl (3R)-3-(3-methyl-2-oxopyrrolidin-1-yl)pyrrolidine-1-carboxylate is CC1CCN([C@@H]2CCN(C(=O)OC(C)(C)C)C2)C1=O.
What is the InChIKey of tert-butyl (3R)-3-(3-methyl-2-oxopyrrolidin-1-yl)pyrrolidine-1-carboxylate?
The InChIKey is CLIMNKHCKHNFOR-RRKGBCIJSA-N. The full InChI is InChI=1S/C14H24N2O3/c1-10-5-8-16(12(10)17)11-6-7-15(9-11)13(18)19-14(2,3)4/h10-11H,5-9H2,1-4H3/t10?,11-/m1/s1.
What are the key properties of tert-butyl (3R)-3-(3-methyl-2-oxopyrrolidin-1-yl)pyrrolidine-1-carboxylate?
tert-butyl (3R)-3-(3-methyl-2-oxopyrrolidin-1-yl)pyrrolidine-1-carboxylate has a molecular weight of 268.36 g/mol, XLogP of 1.86, 1 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl (3R)-3-(3-methyl-2-oxopyrrolidin-1-yl)pyrrolidine-1-carboxylate is sourced from PubChem (CID 143878743), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).