tert-butyl (2R,3R,4R,5R)-3,4-dihydroxy-2-(hydroxymethyl)-5-(2-oxopropyl)pyrrolidine-1-carboxylate

C13H23NO6 — CID 118409102

IUPACtert-butyl (2R,3R,4R,5R)-3,4-dihydroxy-2-(hydroxymethyl)-5-(2-oxopropyl)pyrrolidine-1-carboxylate
SMILESCC(=O)C[C@@H]1[C@@H](O)[C@H](O)[C@@H](CO)N1C(=O)OC(C)(C)C
InChIInChI=1S/C13H23NO6/c1-7(16)5-8-10(17)11(18)9(6-15)14(8)12(19)20-13(2,3)4/h8-11,15,17-18H,5-6H2,1-4H3/t8-,9-,10-,11-/m1/s1
InChIKeyUWFORLYLRTWBPL-GWOFURMSSA-N
MW289.33 g/mol
LogP-0.33
Rot. Bonds3

About tert-butyl (2R,3R,4R,5R)-3,4-dihydroxy-2-(hydroxymethyl)-5-(2-oxopropyl)pyrrolidine-1-carboxylate

tert-butyl (2R,3R,4R,5R)-3,4-dihydroxy-2-(hydroxymethyl)-5-(2-oxopropyl)pyrrolidine-1-carboxylate (PubChem CID 118409102) has the molecular formula C13H23NO6 and a molecular weight of 289.33 g/mol. Its IUPAC name is tert-butyl (2R,3R,4R,5R)-3,4-dihydroxy-2-(hydroxymethyl)-5-(2-oxopropyl)pyrrolidine-1-carboxylate.

Molecular Properties

Compound Nametert-butyl (2R,3R,4R,5R)-3,4-dihydroxy-2-(hydroxymethyl)-5-(2-oxopropyl)pyrrolidine-1-carboxylate
PubChem CID118409102
Molecular FormulaC13H23NO6
Molecular Weight289.33 g/mol
Exact Mass289.15
IUPAC Nametert-butyl (2R,3R,4R,5R)-3,4-dihydroxy-2-(hydroxymethyl)-5-(2-oxopropyl)pyrrolidine-1-carboxylate
SMILESCC(=O)C[C@@H]1[C@@H](O)[C@H](O)[C@@H](CO)N1C(=O)OC(C)(C)C
InChIInChI=1S/C13H23NO6/c1-7(16)5-8-10(17)11(18)9(6-15)14(8)12(19)20-13(2,3)4/h8-11,15,17-18H,5-6H2,1-4H3/t8-,9-,10-,11-/m1/s1
InChIKeyUWFORLYLRTWBPL-GWOFURMSSA-N
XLogP-0.33
TPSA107.30 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500289.33
LogP ≤ 5-0.33
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 106

Analyze tert-butyl (2R,3R,4R,5R)-3,4-dihydroxy-2-(hydroxymethyl)-5-(2-oxopropyl)pyrrolidine-1-carboxylate with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of tert-butyl (2R,3R,4R,5R)-3,4-dihydroxy-2-(hydroxymethyl)-5-(2-oxopropyl)pyrrolidine-1-carboxylate?
The IUPAC name of tert-butyl (2R,3R,4R,5R)-3,4-dihydroxy-2-(hydroxymethyl)-5-(2-oxopropyl)pyrrolidine-1-carboxylate (CID 118409102) is tert-butyl (2R,3R,4R,5R)-3,4-dihydroxy-2-(hydroxymethyl)-5-(2-oxopropyl)pyrrolidine-1-carboxylate.
What is the SMILES notation for tert-butyl (2R,3R,4R,5R)-3,4-dihydroxy-2-(hydroxymethyl)-5-(2-oxopropyl)pyrrolidine-1-carboxylate?
The canonical SMILES for tert-butyl (2R,3R,4R,5R)-3,4-dihydroxy-2-(hydroxymethyl)-5-(2-oxopropyl)pyrrolidine-1-carboxylate is CC(=O)C[C@@H]1[C@@H](O)[C@H](O)[C@@H](CO)N1C(=O)OC(C)(C)C.
What is the InChIKey of tert-butyl (2R,3R,4R,5R)-3,4-dihydroxy-2-(hydroxymethyl)-5-(2-oxopropyl)pyrrolidine-1-carboxylate?
The InChIKey is UWFORLYLRTWBPL-GWOFURMSSA-N. The full InChI is InChI=1S/C13H23NO6/c1-7(16)5-8-10(17)11(18)9(6-15)14(8)12(19)20-13(2,3)4/h8-11,15,17-18H,5-6H2,1-4H3/t8-,9-,10-,11-/m1/s1.
What are the key properties of tert-butyl (2R,3R,4R,5R)-3,4-dihydroxy-2-(hydroxymethyl)-5-(2-oxopropyl)pyrrolidine-1-carboxylate?
tert-butyl (2R,3R,4R,5R)-3,4-dihydroxy-2-(hydroxymethyl)-5-(2-oxopropyl)pyrrolidine-1-carboxylate has a molecular weight of 289.33 g/mol, XLogP of -0.33, 3 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl (2R,3R,4R,5R)-3,4-dihydroxy-2-(hydroxymethyl)-5-(2-oxopropyl)pyrrolidine-1-carboxylate is sourced from PubChem (CID 118409102), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).