tert-butyl 1-[2-[4-[(2-methylpropan-2-yl)oxycarbonyl]-2-oxopyrrolidin-1-yl]ethyl]-5-oxopyrrolidine-3-carboxylate

C20H32N2O6 — CID 20594915

IUPACtert-butyl 1-[2-[4-[(2-methylpropan-2-yl)oxycarbonyl]-2-oxopyrrolidin-1-yl]ethyl]-5-oxopyrrolidine-3-carboxylate
SMILESCC(C)(C)OC(=O)C1CC(=O)N(CCN2CC(C(=O)OC(C)(C)C)CC2=O)C1
InChIInChI=1S/C20H32N2O6/c1-19(2,3)27-17(25)13-9-15(23)21(11-13)7-8-22-12-14(10-16(22)24)18(26)28-20(4,5)6/h13-14H,7-12H2,1-6H3
InChIKeyLJBOUKNMQIYZAX-UHFFFAOYSA-N
MW396.48 g/mol
LogP1.37
Rot. Bonds5

About tert-butyl 1-[2-[4-[(2-methylpropan-2-yl)oxycarbonyl]-2-oxopyrrolidin-1-yl]ethyl]-5-oxopyrrolidine-3-carboxylate

tert-butyl 1-[2-[4-[(2-methylpropan-2-yl)oxycarbonyl]-2-oxopyrrolidin-1-yl]ethyl]-5-oxopyrrolidine-3-carboxylate (PubChem CID 20594915) has the molecular formula C20H32N2O6 and a molecular weight of 396.48 g/mol. Its IUPAC name is tert-butyl 1-[2-[4-[(2-methylpropan-2-yl)oxycarbonyl]-2-oxopyrrolidin-1-yl]ethyl]-5-oxopyrrolidine-3-carboxylate.

Molecular Properties

Compound Nametert-butyl 1-[2-[4-[(2-methylpropan-2-yl)oxycarbonyl]-2-oxopyrrolidin-1-yl]ethyl]-5-oxopyrrolidine-3-carboxylate
PubChem CID20594915
Molecular FormulaC20H32N2O6
Molecular Weight396.48 g/mol
Exact Mass396.23
IUPAC Nametert-butyl 1-[2-[4-[(2-methylpropan-2-yl)oxycarbonyl]-2-oxopyrrolidin-1-yl]ethyl]-5-oxopyrrolidine-3-carboxylate
SMILESCC(C)(C)OC(=O)C1CC(=O)N(CCN2CC(C(=O)OC(C)(C)C)CC2=O)C1
InChIInChI=1S/C20H32N2O6/c1-19(2,3)27-17(25)13-9-15(23)21(11-13)7-8-22-12-14(10-16(22)24)18(26)28-20(4,5)6/h13-14H,7-12H2,1-6H3
InChIKeyLJBOUKNMQIYZAX-UHFFFAOYSA-N
XLogP1.37
TPSA93.22 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500396.48
LogP ≤ 51.37
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Analyze tert-butyl 1-[2-[4-[(2-methylpropan-2-yl)oxycarbonyl]-2-oxopyrrolidin-1-yl]ethyl]-5-oxopyrrolidine-3-carboxylate with MolForge

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Related Compounds

methyl 1-[2-[1-[(2-methylpropan-2-yl)oxycarbonyl]azetidin-3-yl]ethyl]-5-oxopyrrolidine-3-carboxylate
CID 168692906
1-(3-hydroxy-3-methylbutyl)-5-oxopyrrolidine-3-carboxylic acid
CID 83192927
1-[3-[(2-methylpropan-2-yl)oxy]propyl]-5-oxopyrrolidine-3-carboxylic acid
CID 168690461
methyl (3R)-1-butyl-5-oxopyrrolidine-3-carboxylate
CID 94069422
methyl 1-[2-[[1-[2-[[1-[2-[4-[(2-methylpropan-2-yl)oxycarbonyl]cycloheptyl]ethyl]-5-oxopyrrolidine-3-carbonyl]amino]ethyl]-5-oxopyrrolidine-3-carbonyl]amino]ethyl]-5-oxopyrrolidine-3-carboxylate
CID 139513690
1-(3-methoxy-3-methylbutyl)-5-oxopyrrolidine-3-carboxylic acid
CID 103034262
methyl (3S)-1-ethyl-5-oxopyrrolidine-3-carboxylate
CID 42579819
methyl 1-(3-hydroxy-2,2-dimethylpropyl)-5-oxopyrrolidine-3-carboxylate
CID 168692968
methyl 1-(6-aminohexyl)-5-oxopyrrolidine-3-carboxylate
CID 168694101
1-[2-[2-[(2-methylpropan-2-yl)oxycarbonylamino]ethyldisulfanyl]ethyl]-5-oxopyrrolidine-3-carboxylic acid
CID 168690443
(3S)-5-oxo-1-propylpyrrolidine-3-carboxylic acid
CID 7583712
7-(4-methoxycarbonyl-2-oxopyrrolidin-1-yl)heptanoic acid
CID 168694097

Frequently Asked Questions

What is the IUPAC name of tert-butyl 1-[2-[4-[(2-methylpropan-2-yl)oxycarbonyl]-2-oxopyrrolidin-1-yl]ethyl]-5-oxopyrrolidine-3-carboxylate?
The IUPAC name of tert-butyl 1-[2-[4-[(2-methylpropan-2-yl)oxycarbonyl]-2-oxopyrrolidin-1-yl]ethyl]-5-oxopyrrolidine-3-carboxylate (CID 20594915) is tert-butyl 1-[2-[4-[(2-methylpropan-2-yl)oxycarbonyl]-2-oxopyrrolidin-1-yl]ethyl]-5-oxopyrrolidine-3-carboxylate.
What is the SMILES notation for tert-butyl 1-[2-[4-[(2-methylpropan-2-yl)oxycarbonyl]-2-oxopyrrolidin-1-yl]ethyl]-5-oxopyrrolidine-3-carboxylate?
The canonical SMILES for tert-butyl 1-[2-[4-[(2-methylpropan-2-yl)oxycarbonyl]-2-oxopyrrolidin-1-yl]ethyl]-5-oxopyrrolidine-3-carboxylate is CC(C)(C)OC(=O)C1CC(=O)N(CCN2CC(C(=O)OC(C)(C)C)CC2=O)C1.
What is the InChIKey of tert-butyl 1-[2-[4-[(2-methylpropan-2-yl)oxycarbonyl]-2-oxopyrrolidin-1-yl]ethyl]-5-oxopyrrolidine-3-carboxylate?
The InChIKey is LJBOUKNMQIYZAX-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H32N2O6/c1-19(2,3)27-17(25)13-9-15(23)21(11-13)7-8-22-12-14(10-16(22)24)18(26)28-20(4,5)6/h13-14H,7-12H2,1-6H3.
What are the key properties of tert-butyl 1-[2-[4-[(2-methylpropan-2-yl)oxycarbonyl]-2-oxopyrrolidin-1-yl]ethyl]-5-oxopyrrolidine-3-carboxylate?
tert-butyl 1-[2-[4-[(2-methylpropan-2-yl)oxycarbonyl]-2-oxopyrrolidin-1-yl]ethyl]-5-oxopyrrolidine-3-carboxylate has a molecular weight of 396.48 g/mol, XLogP of 1.37, 5 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl 1-[2-[4-[(2-methylpropan-2-yl)oxycarbonyl]-2-oxopyrrolidin-1-yl]ethyl]-5-oxopyrrolidine-3-carboxylate is sourced from PubChem (CID 20594915), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).