tert-butyl (2S)-1-(1-methyl-2,5-dioxopyrrolidin-3-yl)pyrrolidine-2-carboxylate

C14H22N2O4 — CID 107358215

IUPACtert-butyl (2S)-1-(1-methyl-2,5-dioxopyrrolidin-3-yl)pyrrolidine-2-carboxylate
SMILESCN1C(=O)CC(N2CCC[C@H]2C(=O)OC(C)(C)C)C1=O
InChIInChI=1S/C14H22N2O4/c1-14(2,3)20-13(19)9-6-5-7-16(9)10-8-11(17)15(4)12(10)18/h9-10H,5-8H2,1-4H3/t9-,10?/m0/s1
InChIKeyPKZOOCJBXVSJRK-RGURZIINSA-N
MW282.34 g/mol
LogP0.55
Rot. Bonds2

About tert-butyl (2S)-1-(1-methyl-2,5-dioxopyrrolidin-3-yl)pyrrolidine-2-carboxylate

tert-butyl (2S)-1-(1-methyl-2,5-dioxopyrrolidin-3-yl)pyrrolidine-2-carboxylate (PubChem CID 107358215) has the molecular formula C14H22N2O4 and a molecular weight of 282.34 g/mol. Its IUPAC name is tert-butyl (2S)-1-(1-methyl-2,5-dioxopyrrolidin-3-yl)pyrrolidine-2-carboxylate.

Molecular Properties

Compound Nametert-butyl (2S)-1-(1-methyl-2,5-dioxopyrrolidin-3-yl)pyrrolidine-2-carboxylate
PubChem CID107358215
Molecular FormulaC14H22N2O4
Molecular Weight282.34 g/mol
Exact Mass282.16
IUPAC Nametert-butyl (2S)-1-(1-methyl-2,5-dioxopyrrolidin-3-yl)pyrrolidine-2-carboxylate
SMILESCN1C(=O)CC(N2CCC[C@H]2C(=O)OC(C)(C)C)C1=O
InChIInChI=1S/C14H22N2O4/c1-14(2,3)20-13(19)9-6-5-7-16(9)10-8-11(17)15(4)12(10)18/h9-10H,5-8H2,1-4H3/t9-,10?/m0/s1
InChIKeyPKZOOCJBXVSJRK-RGURZIINSA-N
XLogP0.55
TPSA66.92 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500282.34
LogP ≤ 50.55
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of tert-butyl (2S)-1-(1-methyl-2,5-dioxopyrrolidin-3-yl)pyrrolidine-2-carboxylate?
The IUPAC name of tert-butyl (2S)-1-(1-methyl-2,5-dioxopyrrolidin-3-yl)pyrrolidine-2-carboxylate (CID 107358215) is tert-butyl (2S)-1-(1-methyl-2,5-dioxopyrrolidin-3-yl)pyrrolidine-2-carboxylate.
What is the SMILES notation for tert-butyl (2S)-1-(1-methyl-2,5-dioxopyrrolidin-3-yl)pyrrolidine-2-carboxylate?
The canonical SMILES for tert-butyl (2S)-1-(1-methyl-2,5-dioxopyrrolidin-3-yl)pyrrolidine-2-carboxylate is CN1C(=O)CC(N2CCC[C@H]2C(=O)OC(C)(C)C)C1=O.
What is the InChIKey of tert-butyl (2S)-1-(1-methyl-2,5-dioxopyrrolidin-3-yl)pyrrolidine-2-carboxylate?
The InChIKey is PKZOOCJBXVSJRK-RGURZIINSA-N. The full InChI is InChI=1S/C14H22N2O4/c1-14(2,3)20-13(19)9-6-5-7-16(9)10-8-11(17)15(4)12(10)18/h9-10H,5-8H2,1-4H3/t9-,10?/m0/s1.
What are the key properties of tert-butyl (2S)-1-(1-methyl-2,5-dioxopyrrolidin-3-yl)pyrrolidine-2-carboxylate?
tert-butyl (2S)-1-(1-methyl-2,5-dioxopyrrolidin-3-yl)pyrrolidine-2-carboxylate has a molecular weight of 282.34 g/mol, XLogP of 0.55, 2 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl (2S)-1-(1-methyl-2,5-dioxopyrrolidin-3-yl)pyrrolidine-2-carboxylate is sourced from PubChem (CID 107358215), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).