N-(6-oxo-5-oxa-7-azaspiro[3.4]octan-2-yl)-3-(2-oxopyrrolidin-1-yl)pyrrolidine-1-carboxamide

C15H22N4O4 — CID 167903686

IUPACN-(6-oxo-5-oxa-7-azaspiro[3.4]octan-2-yl)-3-(2-oxopyrrolidin-1-yl)pyrrolidine-1-carboxamide
SMILESO=C1NCC2(CC(NC(=O)N3CCC(N4CCCC4=O)C3)C2)O1
InChIInChI=1S/C15H22N4O4/c20-12-2-1-4-19(12)11-3-5-18(8-11)13(21)17-10-6-15(7-10)9-16-14(22)23-15/h10-11H,1-9H2,(H,16,22)(H,17,21)
InChIKeyXEXMQZRPRBQSLT-UHFFFAOYSA-N
MW322.37 g/mol
LogP0.03
Rot. Bonds2

About N-(6-oxo-5-oxa-7-azaspiro[3.4]octan-2-yl)-3-(2-oxopyrrolidin-1-yl)pyrrolidine-1-carboxamide

N-(6-oxo-5-oxa-7-azaspiro[3.4]octan-2-yl)-3-(2-oxopyrrolidin-1-yl)pyrrolidine-1-carboxamide (PubChem CID 167903686) has the molecular formula C15H22N4O4 and a molecular weight of 322.37 g/mol. Its IUPAC name is N-(6-oxo-5-oxa-7-azaspiro[3.4]octan-2-yl)-3-(2-oxopyrrolidin-1-yl)pyrrolidine-1-carboxamide.

Molecular Properties

Compound NameN-(6-oxo-5-oxa-7-azaspiro[3.4]octan-2-yl)-3-(2-oxopyrrolidin-1-yl)pyrrolidine-1-carboxamide
PubChem CID167903686
Molecular FormulaC15H22N4O4
Molecular Weight322.37 g/mol
Exact Mass322.16
IUPAC NameN-(6-oxo-5-oxa-7-azaspiro[3.4]octan-2-yl)-3-(2-oxopyrrolidin-1-yl)pyrrolidine-1-carboxamide
SMILESO=C1NCC2(CC(NC(=O)N3CCC(N4CCCC4=O)C3)C2)O1
InChIInChI=1S/C15H22N4O4/c20-12-2-1-4-19(12)11-3-5-18(8-11)13(21)17-10-6-15(7-10)9-16-14(22)23-15/h10-11H,1-9H2,(H,16,22)(H,17,21)
InChIKeyXEXMQZRPRBQSLT-UHFFFAOYSA-N
XLogP0.03
TPSA90.98 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500322.37
LogP ≤ 50.03
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-(6-oxo-5-oxa-7-azaspiro[3.4]octan-2-yl)-3-(2-oxopyrrolidin-1-yl)pyrrolidine-1-carboxamide?
The IUPAC name of N-(6-oxo-5-oxa-7-azaspiro[3.4]octan-2-yl)-3-(2-oxopyrrolidin-1-yl)pyrrolidine-1-carboxamide (CID 167903686) is N-(6-oxo-5-oxa-7-azaspiro[3.4]octan-2-yl)-3-(2-oxopyrrolidin-1-yl)pyrrolidine-1-carboxamide.
What is the SMILES notation for N-(6-oxo-5-oxa-7-azaspiro[3.4]octan-2-yl)-3-(2-oxopyrrolidin-1-yl)pyrrolidine-1-carboxamide?
The canonical SMILES for N-(6-oxo-5-oxa-7-azaspiro[3.4]octan-2-yl)-3-(2-oxopyrrolidin-1-yl)pyrrolidine-1-carboxamide is O=C1NCC2(CC(NC(=O)N3CCC(N4CCCC4=O)C3)C2)O1.
What is the InChIKey of N-(6-oxo-5-oxa-7-azaspiro[3.4]octan-2-yl)-3-(2-oxopyrrolidin-1-yl)pyrrolidine-1-carboxamide?
The InChIKey is XEXMQZRPRBQSLT-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H22N4O4/c20-12-2-1-4-19(12)11-3-5-18(8-11)13(21)17-10-6-15(7-10)9-16-14(22)23-15/h10-11H,1-9H2,(H,16,22)(H,17,21).
What are the key properties of N-(6-oxo-5-oxa-7-azaspiro[3.4]octan-2-yl)-3-(2-oxopyrrolidin-1-yl)pyrrolidine-1-carboxamide?
N-(6-oxo-5-oxa-7-azaspiro[3.4]octan-2-yl)-3-(2-oxopyrrolidin-1-yl)pyrrolidine-1-carboxamide has a molecular weight of 322.37 g/mol, XLogP of 0.03, 2 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(6-oxo-5-oxa-7-azaspiro[3.4]octan-2-yl)-3-(2-oxopyrrolidin-1-yl)pyrrolidine-1-carboxamide is sourced from PubChem (CID 167903686), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).