tert-butyl (2S)-2-(2-methylpropyl)-4-oxopyrrolidine-1-carboxylate

C13H23NO3 — CID 24813169

IUPACtert-butyl (2S)-2-(2-methylpropyl)-4-oxopyrrolidine-1-carboxylate
SMILESCC(C)C[C@H]1CC(=O)CN1C(=O)OC(C)(C)C
InChIInChI=1S/C13H23NO3/c1-9(2)6-10-7-11(15)8-14(10)12(16)17-13(3,4)5/h9-10H,6-8H2,1-5H3/t10-/m0/s1
InChIKeySCWFWRMWFMURAC-JTQLQIEISA-N
MW241.33 g/mol
LogP2.61
Rot. Bonds2

About tert-butyl (2S)-2-(2-methylpropyl)-4-oxopyrrolidine-1-carboxylate

tert-butyl (2S)-2-(2-methylpropyl)-4-oxopyrrolidine-1-carboxylate (PubChem CID 24813169) has the molecular formula C13H23NO3 and a molecular weight of 241.33 g/mol. Its IUPAC name is tert-butyl (2S)-2-(2-methylpropyl)-4-oxopyrrolidine-1-carboxylate.

Molecular Properties

Compound Nametert-butyl (2S)-2-(2-methylpropyl)-4-oxopyrrolidine-1-carboxylate
PubChem CID24813169
Molecular FormulaC13H23NO3
Molecular Weight241.33 g/mol
Exact Mass241.17
IUPAC Nametert-butyl (2S)-2-(2-methylpropyl)-4-oxopyrrolidine-1-carboxylate
SMILESCC(C)C[C@H]1CC(=O)CN1C(=O)OC(C)(C)C
InChIInChI=1S/C13H23NO3/c1-9(2)6-10-7-11(15)8-14(10)12(16)17-13(3,4)5/h9-10H,6-8H2,1-5H3/t10-/m0/s1
InChIKeySCWFWRMWFMURAC-JTQLQIEISA-N
XLogP2.61
TPSA46.61 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500241.33
LogP ≤ 52.61
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

tert-butyl (2R)-2-(hydroxymethyl)-4-oxopyrrolidine-1-carboxylate
CID 22848098
tert-butyl 2-(3,3-dimethylbutyl)-4-oxopyrrolidine-1-carboxylate
CID 172607958
tert-butyl 2-formyl-4-oxopyrrolidine-1-carboxylate
CID 130250817
tert-butyl 2-(2-methylpropyl)azetidine-1-carboxylate
CID 143769589
tert-butyl 2-[[dimethylamino(methoxy)methoxy]methyl]-4-oxopyrrolidine-1-carboxylate
CID 130347293
tert-butyl 2,5-bis(2-methylpropyl)piperazine-1-carboxylate
CID 156757894
tert-butyl (2S)-4-hydroxy-2-(2-methylpropyl)-6-oxo-2,3-dihydropyridine-1-carboxylate
CID 139059102
tert-butyl 4-cyano-2-(2-methylpropyl)piperidine-1-carboxylate
CID 66732195
tert-butyl 2-diethoxyphosphoryl-7-(2-methylpropyl)-7,8-dihydro-5H-1,6-naphthyridine-6-carboxylate
CID 164562940
tert-butyl 4-(2-aminoethyl)-2-(2-methylpropyl)piperidine-1-carboxylate
CID 84813183
tert-butyl 4-oxo-2-prop-2-enylpiperidine-1-carboxylate
CID 18340820
tert-butyl (2S)-2-(2-methylpropyl)-2,5-dihydropyrrole-1-carboxylate
CID 100958735

Frequently Asked Questions

What is the IUPAC name of tert-butyl (2S)-2-(2-methylpropyl)-4-oxopyrrolidine-1-carboxylate?
The IUPAC name of tert-butyl (2S)-2-(2-methylpropyl)-4-oxopyrrolidine-1-carboxylate (CID 24813169) is tert-butyl (2S)-2-(2-methylpropyl)-4-oxopyrrolidine-1-carboxylate.
What is the SMILES notation for tert-butyl (2S)-2-(2-methylpropyl)-4-oxopyrrolidine-1-carboxylate?
The canonical SMILES for tert-butyl (2S)-2-(2-methylpropyl)-4-oxopyrrolidine-1-carboxylate is CC(C)C[C@H]1CC(=O)CN1C(=O)OC(C)(C)C.
What is the InChIKey of tert-butyl (2S)-2-(2-methylpropyl)-4-oxopyrrolidine-1-carboxylate?
The InChIKey is SCWFWRMWFMURAC-JTQLQIEISA-N. The full InChI is InChI=1S/C13H23NO3/c1-9(2)6-10-7-11(15)8-14(10)12(16)17-13(3,4)5/h9-10H,6-8H2,1-5H3/t10-/m0/s1.
What are the key properties of tert-butyl (2S)-2-(2-methylpropyl)-4-oxopyrrolidine-1-carboxylate?
tert-butyl (2S)-2-(2-methylpropyl)-4-oxopyrrolidine-1-carboxylate has a molecular weight of 241.33 g/mol, XLogP of 2.61, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl (2S)-2-(2-methylpropyl)-4-oxopyrrolidine-1-carboxylate is sourced from PubChem (CID 24813169), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).