(2R,5R)-1-benzyl-2-(2-hydroxyethyl)-7-oxa-1-azaspiro[4.4]nonan-6-one

C16H21NO3 — CID 100913320

IUPAC(2R,5R)-1-benzyl-2-(2-hydroxyethyl)-7-oxa-1-azaspiro[4.4]nonan-6-one
SMILESO=C1OCC[C@]12CC[C@H](CCO)N2Cc1ccccc1
InChIInChI=1S/C16H21NO3/c18-10-7-14-6-8-16(9-11-20-15(16)19)17(14)12-13-4-2-1-3-5-13/h1-5,14,18H,6-12H2/t14-,16-/m1/s1
InChIKeySFZARPAONPZVIF-GDBMZVCRSA-N
MW275.35 g/mol
LogP1.72
Rot. Bonds4

About (2R,5R)-1-benzyl-2-(2-hydroxyethyl)-7-oxa-1-azaspiro[4.4]nonan-6-one

(2R,5R)-1-benzyl-2-(2-hydroxyethyl)-7-oxa-1-azaspiro[4.4]nonan-6-one (PubChem CID 100913320) has the molecular formula C16H21NO3 and a molecular weight of 275.35 g/mol. Its IUPAC name is (2R,5R)-1-benzyl-2-(2-hydroxyethyl)-7-oxa-1-azaspiro[4.4]nonan-6-one.

Molecular Properties

Compound Name(2R,5R)-1-benzyl-2-(2-hydroxyethyl)-7-oxa-1-azaspiro[4.4]nonan-6-one
PubChem CID100913320
Molecular FormulaC16H21NO3
Molecular Weight275.35 g/mol
Exact Mass275.15
IUPAC Name(2R,5R)-1-benzyl-2-(2-hydroxyethyl)-7-oxa-1-azaspiro[4.4]nonan-6-one
SMILESO=C1OCC[C@]12CC[C@H](CCO)N2Cc1ccccc1
InChIInChI=1S/C16H21NO3/c18-10-7-14-6-8-16(9-11-20-15(16)19)17(14)12-13-4-2-1-3-5-13/h1-5,14,18H,6-12H2/t14-,16-/m1/s1
InChIKeySFZARPAONPZVIF-GDBMZVCRSA-N
XLogP1.72
TPSA49.77 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500275.35
LogP ≤ 51.72
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze (2R,5R)-1-benzyl-2-(2-hydroxyethyl)-7-oxa-1-azaspiro[4.4]nonan-6-one with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of (2R,5R)-1-benzyl-2-(2-hydroxyethyl)-7-oxa-1-azaspiro[4.4]nonan-6-one?
The IUPAC name of (2R,5R)-1-benzyl-2-(2-hydroxyethyl)-7-oxa-1-azaspiro[4.4]nonan-6-one (CID 100913320) is (2R,5R)-1-benzyl-2-(2-hydroxyethyl)-7-oxa-1-azaspiro[4.4]nonan-6-one.
What is the SMILES notation for (2R,5R)-1-benzyl-2-(2-hydroxyethyl)-7-oxa-1-azaspiro[4.4]nonan-6-one?
The canonical SMILES for (2R,5R)-1-benzyl-2-(2-hydroxyethyl)-7-oxa-1-azaspiro[4.4]nonan-6-one is O=C1OCC[C@]12CC[C@H](CCO)N2Cc1ccccc1.
What is the InChIKey of (2R,5R)-1-benzyl-2-(2-hydroxyethyl)-7-oxa-1-azaspiro[4.4]nonan-6-one?
The InChIKey is SFZARPAONPZVIF-GDBMZVCRSA-N. The full InChI is InChI=1S/C16H21NO3/c18-10-7-14-6-8-16(9-11-20-15(16)19)17(14)12-13-4-2-1-3-5-13/h1-5,14,18H,6-12H2/t14-,16-/m1/s1.
What are the key properties of (2R,5R)-1-benzyl-2-(2-hydroxyethyl)-7-oxa-1-azaspiro[4.4]nonan-6-one?
(2R,5R)-1-benzyl-2-(2-hydroxyethyl)-7-oxa-1-azaspiro[4.4]nonan-6-one has a molecular weight of 275.35 g/mol, XLogP of 1.72, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (2R,5R)-1-benzyl-2-(2-hydroxyethyl)-7-oxa-1-azaspiro[4.4]nonan-6-one is sourced from PubChem (CID 100913320), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).