tert-butyl (3S,5S)-2-oxo-5-[(2S,4S)-5-oxo-4-propan-2-yloxolan-2-yl]-3-propan-2-ylpyrrolidine-1-carboxylate

C19H31NO5 — CID 25063946

IUPACtert-butyl (3S,5S)-2-oxo-5-[(2S,4S)-5-oxo-4-propan-2-yloxolan-2-yl]-3-propan-2-ylpyrrolidine-1-carboxylate
SMILESCC(C)[C@@H]1C[C@@H]([C@@H]2C[C@@H](C(C)C)C(=O)N2C(=O)OC(C)(C)C)OC1=O
InChIInChI=1S/C19H31NO5/c1-10(2)12-8-14(15-9-13(11(3)4)17(22)24-15)20(16(12)21)18(23)25-19(5,6)7/h10-15H,8-9H2,1-7H3/t12-,13-,14-,15-/m0/s1
InChIKeyIMCGHZIGRANKHV-AJNGGQMLSA-N
MW353.46 g/mol
LogP3.38
Rot. Bonds3

About tert-butyl (3S,5S)-2-oxo-5-[(2S,4S)-5-oxo-4-propan-2-yloxolan-2-yl]-3-propan-2-ylpyrrolidine-1-carboxylate

tert-butyl (3S,5S)-2-oxo-5-[(2S,4S)-5-oxo-4-propan-2-yloxolan-2-yl]-3-propan-2-ylpyrrolidine-1-carboxylate (PubChem CID 25063946) has the molecular formula C19H31NO5 and a molecular weight of 353.46 g/mol. Its IUPAC name is tert-butyl (3S,5S)-2-oxo-5-[(2S,4S)-5-oxo-4-propan-2-yloxolan-2-yl]-3-propan-2-ylpyrrolidine-1-carboxylate.

Molecular Properties

Compound Nametert-butyl (3S,5S)-2-oxo-5-[(2S,4S)-5-oxo-4-propan-2-yloxolan-2-yl]-3-propan-2-ylpyrrolidine-1-carboxylate
PubChem CID25063946
Molecular FormulaC19H31NO5
Molecular Weight353.46 g/mol
Exact Mass353.22
IUPAC Nametert-butyl (3S,5S)-2-oxo-5-[(2S,4S)-5-oxo-4-propan-2-yloxolan-2-yl]-3-propan-2-ylpyrrolidine-1-carboxylate
SMILESCC(C)[C@@H]1C[C@@H]([C@@H]2C[C@@H](C(C)C)C(=O)N2C(=O)OC(C)(C)C)OC1=O
InChIInChI=1S/C19H31NO5/c1-10(2)12-8-14(15-9-13(11(3)4)17(22)24-15)20(16(12)21)18(23)25-19(5,6)7/h10-15H,8-9H2,1-7H3/t12-,13-,14-,15-/m0/s1
InChIKeyIMCGHZIGRANKHV-AJNGGQMLSA-N
XLogP3.38
TPSA72.91 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500353.46
LogP ≤ 53.38
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of tert-butyl (3S,5S)-2-oxo-5-[(2S,4S)-5-oxo-4-propan-2-yloxolan-2-yl]-3-propan-2-ylpyrrolidine-1-carboxylate?
The IUPAC name of tert-butyl (3S,5S)-2-oxo-5-[(2S,4S)-5-oxo-4-propan-2-yloxolan-2-yl]-3-propan-2-ylpyrrolidine-1-carboxylate (CID 25063946) is tert-butyl (3S,5S)-2-oxo-5-[(2S,4S)-5-oxo-4-propan-2-yloxolan-2-yl]-3-propan-2-ylpyrrolidine-1-carboxylate.
What is the SMILES notation for tert-butyl (3S,5S)-2-oxo-5-[(2S,4S)-5-oxo-4-propan-2-yloxolan-2-yl]-3-propan-2-ylpyrrolidine-1-carboxylate?
The canonical SMILES for tert-butyl (3S,5S)-2-oxo-5-[(2S,4S)-5-oxo-4-propan-2-yloxolan-2-yl]-3-propan-2-ylpyrrolidine-1-carboxylate is CC(C)[C@@H]1C[C@@H]([C@@H]2C[C@@H](C(C)C)C(=O)N2C(=O)OC(C)(C)C)OC1=O.
What is the InChIKey of tert-butyl (3S,5S)-2-oxo-5-[(2S,4S)-5-oxo-4-propan-2-yloxolan-2-yl]-3-propan-2-ylpyrrolidine-1-carboxylate?
The InChIKey is IMCGHZIGRANKHV-AJNGGQMLSA-N. The full InChI is InChI=1S/C19H31NO5/c1-10(2)12-8-14(15-9-13(11(3)4)17(22)24-15)20(16(12)21)18(23)25-19(5,6)7/h10-15H,8-9H2,1-7H3/t12-,13-,14-,15-/m0/s1.
What are the key properties of tert-butyl (3S,5S)-2-oxo-5-[(2S,4S)-5-oxo-4-propan-2-yloxolan-2-yl]-3-propan-2-ylpyrrolidine-1-carboxylate?
tert-butyl (3S,5S)-2-oxo-5-[(2S,4S)-5-oxo-4-propan-2-yloxolan-2-yl]-3-propan-2-ylpyrrolidine-1-carboxylate has a molecular weight of 353.46 g/mol, XLogP of 3.38, 3 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl (3S,5S)-2-oxo-5-[(2S,4S)-5-oxo-4-propan-2-yloxolan-2-yl]-3-propan-2-ylpyrrolidine-1-carboxylate is sourced from PubChem (CID 25063946), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).