tert-butyl (3S)-3-[2-(2,5-dioxopyrrolidin-1-yl)oxy-2-oxoethyl]pyrrolidine-1-carboxylate

C15H22N2O6 — CID 157049193

IUPACtert-butyl (3S)-3-[2-(2,5-dioxopyrrolidin-1-yl)oxy-2-oxoethyl]pyrrolidine-1-carboxylate
SMILESCC(C)(C)OC(=O)N1CC[C@@H](CC(=O)ON2C(=O)CCC2=O)C1
InChIInChI=1S/C15H22N2O6/c1-15(2,3)22-14(21)16-7-6-10(9-16)8-13(20)23-17-11(18)4-5-12(17)19/h10H,4-9H2,1-3H3/t10-/m0/s1
InChIKeyHDGQLCOUZHOLMS-JTQLQIEISA-N
MW326.35 g/mol
LogP1.24
Rot. Bonds3

About tert-butyl (3S)-3-[2-(2,5-dioxopyrrolidin-1-yl)oxy-2-oxoethyl]pyrrolidine-1-carboxylate

tert-butyl (3S)-3-[2-(2,5-dioxopyrrolidin-1-yl)oxy-2-oxoethyl]pyrrolidine-1-carboxylate (PubChem CID 157049193) has the molecular formula C15H22N2O6 and a molecular weight of 326.35 g/mol. Its IUPAC name is tert-butyl (3S)-3-[2-(2,5-dioxopyrrolidin-1-yl)oxy-2-oxoethyl]pyrrolidine-1-carboxylate.

Molecular Properties

Compound Nametert-butyl (3S)-3-[2-(2,5-dioxopyrrolidin-1-yl)oxy-2-oxoethyl]pyrrolidine-1-carboxylate
PubChem CID157049193
Molecular FormulaC15H22N2O6
Molecular Weight326.35 g/mol
Exact Mass326.15
IUPAC Nametert-butyl (3S)-3-[2-(2,5-dioxopyrrolidin-1-yl)oxy-2-oxoethyl]pyrrolidine-1-carboxylate
SMILESCC(C)(C)OC(=O)N1CC[C@@H](CC(=O)ON2C(=O)CCC2=O)C1
InChIInChI=1S/C15H22N2O6/c1-15(2,3)22-14(21)16-7-6-10(9-16)8-13(20)23-17-11(18)4-5-12(17)19/h10H,4-9H2,1-3H3/t10-/m0/s1
InChIKeyHDGQLCOUZHOLMS-JTQLQIEISA-N
XLogP1.24
TPSA93.22 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500326.35
LogP ≤ 51.24
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

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Related Compounds

tert-butyl 3-(2-methoxy-2-oxoethyl)pyrrolidine-1-carboxylate
CID 22184663
tert-butyl (3R)-3-(2-oxopropyl)pyrrolidine-1-carboxylate
CID 130861472
tert-butyl 3-(2,5-dioxopyrrolidin-1-yl)oxycarbonyloxypyrrolidine-1-carboxylate
CID 175191066
tert-butyl (3R)-3-(2-amino-2-oxoethyl)pyrrolidine-1-carboxylate
CID 152550195
2-[(3S)-1-[(2-methylpropan-2-yl)oxycarbonyl]pyrrolidin-3-yl]acetate
CID 35549272
tert-butyl (3S)-3-(2,2-dimethylpropyl)pyrrolidine-1-carboxylate
CID 164775419
(2,5-dioxopyrrolidin-1-yl) 2-(1-methylpiperidin-3-yl)acetate
CID 146406428
tert-butyl (3R)-3-(2-oxo-2-phenylmethoxyethyl)pyrrolidine-1-carboxylate
CID 58120124
tert-butyl (3S)-3-(methoxymethyl)pyrrolidine-1-carboxylate
CID 86332594
tert-butyl 3-(cyclopropylmethyl)pyrrolidine-1-carboxylate
CID 167732516
tert-butyl 3-[(2Z)-2-amino-2-hydroxyiminoethyl]pyrrolidine-1-carboxylate
CID 122237136
tert-butyl 3-(2-hydroxyethyl)pyrrolidine-1-carboxylate
CID 22594650

Frequently Asked Questions

What is the IUPAC name of tert-butyl (3S)-3-[2-(2,5-dioxopyrrolidin-1-yl)oxy-2-oxoethyl]pyrrolidine-1-carboxylate?
The IUPAC name of tert-butyl (3S)-3-[2-(2,5-dioxopyrrolidin-1-yl)oxy-2-oxoethyl]pyrrolidine-1-carboxylate (CID 157049193) is tert-butyl (3S)-3-[2-(2,5-dioxopyrrolidin-1-yl)oxy-2-oxoethyl]pyrrolidine-1-carboxylate.
What is the SMILES notation for tert-butyl (3S)-3-[2-(2,5-dioxopyrrolidin-1-yl)oxy-2-oxoethyl]pyrrolidine-1-carboxylate?
The canonical SMILES for tert-butyl (3S)-3-[2-(2,5-dioxopyrrolidin-1-yl)oxy-2-oxoethyl]pyrrolidine-1-carboxylate is CC(C)(C)OC(=O)N1CC[C@@H](CC(=O)ON2C(=O)CCC2=O)C1.
What is the InChIKey of tert-butyl (3S)-3-[2-(2,5-dioxopyrrolidin-1-yl)oxy-2-oxoethyl]pyrrolidine-1-carboxylate?
The InChIKey is HDGQLCOUZHOLMS-JTQLQIEISA-N. The full InChI is InChI=1S/C15H22N2O6/c1-15(2,3)22-14(21)16-7-6-10(9-16)8-13(20)23-17-11(18)4-5-12(17)19/h10H,4-9H2,1-3H3/t10-/m0/s1.
What are the key properties of tert-butyl (3S)-3-[2-(2,5-dioxopyrrolidin-1-yl)oxy-2-oxoethyl]pyrrolidine-1-carboxylate?
tert-butyl (3S)-3-[2-(2,5-dioxopyrrolidin-1-yl)oxy-2-oxoethyl]pyrrolidine-1-carboxylate has a molecular weight of 326.35 g/mol, XLogP of 1.24, 3 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl (3S)-3-[2-(2,5-dioxopyrrolidin-1-yl)oxy-2-oxoethyl]pyrrolidine-1-carboxylate is sourced from PubChem (CID 157049193), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).