tert-butyl (2S)-2-[[(3R)-2-oxooxolan-3-yl]methyl]pyrrolidine-1-carboxylate

C14H23NO4 — CID 11594206

IUPACtert-butyl (2S)-2-[[(3R)-2-oxooxolan-3-yl]methyl]pyrrolidine-1-carboxylate
SMILESCC(C)(C)OC(=O)N1CCC[C@H]1C[C@@H]1CCOC1=O
InChIInChI=1S/C14H23NO4/c1-14(2,3)19-13(17)15-7-4-5-11(15)9-10-6-8-18-12(10)16/h10-11H,4-9H2,1-3H3/t10-,11-/m0/s1
InChIKeyFMTUFXKQZUIWBR-QWRGUYRKSA-N
MW269.34 g/mol
LogP2.34
Rot. Bonds2

About tert-butyl (2S)-2-[[(3R)-2-oxooxolan-3-yl]methyl]pyrrolidine-1-carboxylate

tert-butyl (2S)-2-[[(3R)-2-oxooxolan-3-yl]methyl]pyrrolidine-1-carboxylate (PubChem CID 11594206) has the molecular formula C14H23NO4 and a molecular weight of 269.34 g/mol. Its IUPAC name is tert-butyl (2S)-2-[[(3R)-2-oxooxolan-3-yl]methyl]pyrrolidine-1-carboxylate.

Molecular Properties

Compound Nametert-butyl (2S)-2-[[(3R)-2-oxooxolan-3-yl]methyl]pyrrolidine-1-carboxylate
PubChem CID11594206
Molecular FormulaC14H23NO4
Molecular Weight269.34 g/mol
Exact Mass269.16
IUPAC Nametert-butyl (2S)-2-[[(3R)-2-oxooxolan-3-yl]methyl]pyrrolidine-1-carboxylate
SMILESCC(C)(C)OC(=O)N1CCC[C@H]1C[C@@H]1CCOC1=O
InChIInChI=1S/C14H23NO4/c1-14(2,3)19-13(17)15-7-4-5-11(15)9-10-6-8-18-12(10)16/h10-11H,4-9H2,1-3H3/t10-,11-/m0/s1
InChIKeyFMTUFXKQZUIWBR-QWRGUYRKSA-N
XLogP2.34
TPSA55.84 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500269.34
LogP ≤ 52.34
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

tert-butyl 2-(aminomethyl)pyrrolidine-1-carboxylate
CID 2756484
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CID 72724635
tert-butyl 2-(2-oxopropyl)pyrrolidine-1-carboxylate
CID 13113449
tert-butyl (2R)-2-(2-oxopropyl)pyrrolidine-1-carboxylate
CID 96581061
tert-butyl (2S)-2-(methoxymethyl)pyrrolidine-1-carboxylate;ethane
CID 142306510
tert-butyl (2S)-2-(2-amino-2-oxoethyl)pyrrolidine-1-carboxylate
CID 129403343
3-[(2S)-1-[(2-methylpropan-2-yl)oxycarbonyl]pyrrolidin-2-yl]propanoic acid
CID 10824137
tert-butyl 2-(methylaminomethyl)pyrrolidine-1-carboxylate;ethane
CID 166086054
tert-butyl (2R)-2-[(2S)-1-[(2-methylpropan-2-yl)oxycarbonyl]pyrrolidin-2-yl]pyrrolidine-1-carboxylate
CID 101323143
tert-butyl (2R)-2-ethylpiperidine-1-carboxylate
CID 45095102
tert-butyl 2-prop-2-enylpyrrolidine-1-carboxylate
CID 3755290
tert-butyl (2R)-2-[[(4aS,8aR)-2,3,4a,5,6,7,8,8a-octahydrobenzo[b][1,4]oxazin-4-yl]methyl]pyrrolidine-1-carboxylate
CID 100851471

Frequently Asked Questions

What is the IUPAC name of tert-butyl (2S)-2-[[(3R)-2-oxooxolan-3-yl]methyl]pyrrolidine-1-carboxylate?
The IUPAC name of tert-butyl (2S)-2-[[(3R)-2-oxooxolan-3-yl]methyl]pyrrolidine-1-carboxylate (CID 11594206) is tert-butyl (2S)-2-[[(3R)-2-oxooxolan-3-yl]methyl]pyrrolidine-1-carboxylate.
What is the SMILES notation for tert-butyl (2S)-2-[[(3R)-2-oxooxolan-3-yl]methyl]pyrrolidine-1-carboxylate?
The canonical SMILES for tert-butyl (2S)-2-[[(3R)-2-oxooxolan-3-yl]methyl]pyrrolidine-1-carboxylate is CC(C)(C)OC(=O)N1CCC[C@H]1C[C@@H]1CCOC1=O.
What is the InChIKey of tert-butyl (2S)-2-[[(3R)-2-oxooxolan-3-yl]methyl]pyrrolidine-1-carboxylate?
The InChIKey is FMTUFXKQZUIWBR-QWRGUYRKSA-N. The full InChI is InChI=1S/C14H23NO4/c1-14(2,3)19-13(17)15-7-4-5-11(15)9-10-6-8-18-12(10)16/h10-11H,4-9H2,1-3H3/t10-,11-/m0/s1.
What are the key properties of tert-butyl (2S)-2-[[(3R)-2-oxooxolan-3-yl]methyl]pyrrolidine-1-carboxylate?
tert-butyl (2S)-2-[[(3R)-2-oxooxolan-3-yl]methyl]pyrrolidine-1-carboxylate has a molecular weight of 269.34 g/mol, XLogP of 2.34, 2 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl (2S)-2-[[(3R)-2-oxooxolan-3-yl]methyl]pyrrolidine-1-carboxylate is sourced from PubChem (CID 11594206), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).