4-hydroxy-N-[5-oxo-1-(2-phenoxyethyl)pyrrolidin-3-yl]pyrrolidine-2-carboxamide

C17H23N3O4 — CID 119803338

IUPAC4-hydroxy-N-[5-oxo-1-(2-phenoxyethyl)pyrrolidin-3-yl]pyrrolidine-2-carboxamide
SMILESO=C(NC1CC(=O)N(CCOc2ccccc2)C1)C1CC(O)CN1
InChIInChI=1S/C17H23N3O4/c21-13-9-15(18-10-13)17(23)19-12-8-16(22)20(11-12)6-7-24-14-4-2-1-3-5-14/h1-5,12-13,15,18,21H,6-11H2,(H,19,23)
InChIKeyZORHIHGBQNDKJW-UHFFFAOYSA-N
MW333.39 g/mol
LogP-0.49
Rot. Bonds6

About 4-hydroxy-N-[5-oxo-1-(2-phenoxyethyl)pyrrolidin-3-yl]pyrrolidine-2-carboxamide

4-hydroxy-N-[5-oxo-1-(2-phenoxyethyl)pyrrolidin-3-yl]pyrrolidine-2-carboxamide (PubChem CID 119803338) has the molecular formula C17H23N3O4 and a molecular weight of 333.39 g/mol. Its IUPAC name is 4-hydroxy-N-[5-oxo-1-(2-phenoxyethyl)pyrrolidin-3-yl]pyrrolidine-2-carboxamide.

Molecular Properties

Compound Name4-hydroxy-N-[5-oxo-1-(2-phenoxyethyl)pyrrolidin-3-yl]pyrrolidine-2-carboxamide
PubChem CID119803338
Molecular FormulaC17H23N3O4
Molecular Weight333.39 g/mol
Exact Mass333.17
IUPAC Name4-hydroxy-N-[5-oxo-1-(2-phenoxyethyl)pyrrolidin-3-yl]pyrrolidine-2-carboxamide
SMILESO=C(NC1CC(=O)N(CCOc2ccccc2)C1)C1CC(O)CN1
InChIInChI=1S/C17H23N3O4/c21-13-9-15(18-10-13)17(23)19-12-8-16(22)20(11-12)6-7-24-14-4-2-1-3-5-14/h1-5,12-13,15,18,21H,6-11H2,(H,19,23)
InChIKeyZORHIHGBQNDKJW-UHFFFAOYSA-N
XLogP-0.49
TPSA90.90 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500333.39
LogP ≤ 5-0.49
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 4-hydroxy-N-[5-oxo-1-(2-phenoxyethyl)pyrrolidin-3-yl]pyrrolidine-2-carboxamide?
The IUPAC name of 4-hydroxy-N-[5-oxo-1-(2-phenoxyethyl)pyrrolidin-3-yl]pyrrolidine-2-carboxamide (CID 119803338) is 4-hydroxy-N-[5-oxo-1-(2-phenoxyethyl)pyrrolidin-3-yl]pyrrolidine-2-carboxamide.
What is the SMILES notation for 4-hydroxy-N-[5-oxo-1-(2-phenoxyethyl)pyrrolidin-3-yl]pyrrolidine-2-carboxamide?
The canonical SMILES for 4-hydroxy-N-[5-oxo-1-(2-phenoxyethyl)pyrrolidin-3-yl]pyrrolidine-2-carboxamide is O=C(NC1CC(=O)N(CCOc2ccccc2)C1)C1CC(O)CN1.
What is the InChIKey of 4-hydroxy-N-[5-oxo-1-(2-phenoxyethyl)pyrrolidin-3-yl]pyrrolidine-2-carboxamide?
The InChIKey is ZORHIHGBQNDKJW-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H23N3O4/c21-13-9-15(18-10-13)17(23)19-12-8-16(22)20(11-12)6-7-24-14-4-2-1-3-5-14/h1-5,12-13,15,18,21H,6-11H2,(H,19,23).
What are the key properties of 4-hydroxy-N-[5-oxo-1-(2-phenoxyethyl)pyrrolidin-3-yl]pyrrolidine-2-carboxamide?
4-hydroxy-N-[5-oxo-1-(2-phenoxyethyl)pyrrolidin-3-yl]pyrrolidine-2-carboxamide has a molecular weight of 333.39 g/mol, XLogP of -0.49, 6 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-hydroxy-N-[5-oxo-1-(2-phenoxyethyl)pyrrolidin-3-yl]pyrrolidine-2-carboxamide is sourced from PubChem (CID 119803338), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).