1-O-tert-butyl 2-O-[(3R)-2,5-dioxopyrrolidin-3-yl] (2S)-pyrrolidine-1,2-dicarboxylate

C14H20N2O6 — CID 95048921

IUPAC1-O-tert-butyl 2-O-[(3R)-2,5-dioxopyrrolidin-3-yl] (2S)-pyrrolidine-1,2-dicarboxylate
SMILESCC(C)(C)OC(=O)N1CCC[C@H]1C(=O)O[C@@H]1CC(=O)NC1=O
InChIInChI=1S/C14H20N2O6/c1-14(2,3)22-13(20)16-6-4-5-8(16)12(19)21-9-7-10(17)15-11(9)18/h8-9H,4-7H2,1-3H3,(H,15,17,18)/t8-,9+/m0/s1
InChIKeySNZJUSWCTUVMKZ-DTWKUNHWSA-N
MW312.32 g/mol
LogP0.34
Rot. Bonds2

About 1-O-tert-butyl 2-O-[(3R)-2,5-dioxopyrrolidin-3-yl] (2S)-pyrrolidine-1,2-dicarboxylate

1-O-tert-butyl 2-O-[(3R)-2,5-dioxopyrrolidin-3-yl] (2S)-pyrrolidine-1,2-dicarboxylate (PubChem CID 95048921) has the molecular formula C14H20N2O6 and a molecular weight of 312.32 g/mol. Its IUPAC name is 1-O-tert-butyl 2-O-[(3R)-2,5-dioxopyrrolidin-3-yl] (2S)-pyrrolidine-1,2-dicarboxylate.

Molecular Properties

Compound Name1-O-tert-butyl 2-O-[(3R)-2,5-dioxopyrrolidin-3-yl] (2S)-pyrrolidine-1,2-dicarboxylate
PubChem CID95048921
Molecular FormulaC14H20N2O6
Molecular Weight312.32 g/mol
Exact Mass312.13
IUPAC Name1-O-tert-butyl 2-O-[(3R)-2,5-dioxopyrrolidin-3-yl] (2S)-pyrrolidine-1,2-dicarboxylate
SMILESCC(C)(C)OC(=O)N1CCC[C@H]1C(=O)O[C@@H]1CC(=O)NC1=O
InChIInChI=1S/C14H20N2O6/c1-14(2,3)22-13(20)16-6-4-5-8(16)12(19)21-9-7-10(17)15-11(9)18/h8-9H,4-7H2,1-3H3,(H,15,17,18)/t8-,9+/m0/s1
InChIKeySNZJUSWCTUVMKZ-DTWKUNHWSA-N
XLogP0.34
TPSA102.01 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds2
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500312.32
LogP ≤ 50.34
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'phthalimide', 'substructure': 'N/A'}

Analyze 1-O-tert-butyl 2-O-[(3R)-2,5-dioxopyrrolidin-3-yl] (2S)-pyrrolidine-1,2-dicarboxylate with MolForge

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

Launch Full Analysis

Related Compounds

1-O-benzyl 2-O-[(3S)-2,5-dioxopyrrolidin-3-yl] (2R)-pyrrolidine-1,2-dicarboxylate
CID 98117056
1-O-tert-butyl 2-O-cyclopentyl pyrrolidine-1,2-dicarboxylate
CID 71904508
1-O-tert-butyl 2-O-[1-[(2-methylpropan-2-yl)oxycarbonyl]pyrrolidine-2-carbonyl] pyrrolidine-1,2-dicarboxylate
CID 14237873
1-O-tert-butyl 2-O-methyl pyrrolidine-1,2-dicarboxylate;ethane
CID 143353751
sodium tris[[(2S)-1-[(2-methylpropan-2-yl)oxycarbonyl]pyrrolidine-2-carbonyl]oxy]boranuide
CID 23679383
tert-butyl 2-(methanidylcarbamoyl)pyrrolidine-1-carboxylate;chromium
CID 173484458
tert-butyl (2S)-2-carbonofluoridoylpyrrolidine-1-carboxylate
CID 10878587
tert-butyl 2-(2,2-dimethylpropanoyl)pyrrolidine-1-carboxylate
CID 15309799
CID 155769942
CID 155769942
tert-butyl 2-(1,3-oxazole-2-carbonyl)pyrrolidine-1-carboxylate
CID 175539338
tert-butyl 2-carbonocyanidoylpyrrolidine-1-carboxylate
CID 130156507
tert-butyl (2R)-2-[(2S)-1-[(2-methylpropan-2-yl)oxycarbonyl]pyrrolidin-2-yl]pyrrolidine-1-carboxylate
CID 101323143

Frequently Asked Questions

What is the IUPAC name of 1-O-tert-butyl 2-O-[(3R)-2,5-dioxopyrrolidin-3-yl] (2S)-pyrrolidine-1,2-dicarboxylate?
The IUPAC name of 1-O-tert-butyl 2-O-[(3R)-2,5-dioxopyrrolidin-3-yl] (2S)-pyrrolidine-1,2-dicarboxylate (CID 95048921) is 1-O-tert-butyl 2-O-[(3R)-2,5-dioxopyrrolidin-3-yl] (2S)-pyrrolidine-1,2-dicarboxylate.
What is the SMILES notation for 1-O-tert-butyl 2-O-[(3R)-2,5-dioxopyrrolidin-3-yl] (2S)-pyrrolidine-1,2-dicarboxylate?
The canonical SMILES for 1-O-tert-butyl 2-O-[(3R)-2,5-dioxopyrrolidin-3-yl] (2S)-pyrrolidine-1,2-dicarboxylate is CC(C)(C)OC(=O)N1CCC[C@H]1C(=O)O[C@@H]1CC(=O)NC1=O.
What is the InChIKey of 1-O-tert-butyl 2-O-[(3R)-2,5-dioxopyrrolidin-3-yl] (2S)-pyrrolidine-1,2-dicarboxylate?
The InChIKey is SNZJUSWCTUVMKZ-DTWKUNHWSA-N. The full InChI is InChI=1S/C14H20N2O6/c1-14(2,3)22-13(20)16-6-4-5-8(16)12(19)21-9-7-10(17)15-11(9)18/h8-9H,4-7H2,1-3H3,(H,15,17,18)/t8-,9+/m0/s1.
What are the key properties of 1-O-tert-butyl 2-O-[(3R)-2,5-dioxopyrrolidin-3-yl] (2S)-pyrrolidine-1,2-dicarboxylate?
1-O-tert-butyl 2-O-[(3R)-2,5-dioxopyrrolidin-3-yl] (2S)-pyrrolidine-1,2-dicarboxylate has a molecular weight of 312.32 g/mol, XLogP of 0.34, 2 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1-O-tert-butyl 2-O-[(3R)-2,5-dioxopyrrolidin-3-yl] (2S)-pyrrolidine-1,2-dicarboxylate is sourced from PubChem (CID 95048921), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).