(3S)-1-benzyl-3-[(5R)-2-oxa-7-azaspiro[4.4]nonan-7-yl]pyrrolidine-2,5-dione

C18H22N2O3 — CID 99107501

IUPAC(3S)-1-benzyl-3-[(5R)-2-oxa-7-azaspiro[4.4]nonan-7-yl]pyrrolidine-2,5-dione
SMILESO=C1C[C@H](N2CC[C@@]3(CCOC3)C2)C(=O)N1Cc1ccccc1
InChIInChI=1S/C18H22N2O3/c21-16-10-15(19-8-6-18(12-19)7-9-23-13-18)17(22)20(16)11-14-4-2-1-3-5-14/h1-5,15H,6-13H2/t15-,18+/m0/s1
InChIKeyWRYZXZTUYUUWRD-MAUKXSAKSA-N
MW314.38 g/mol
LogP1.43
Rot. Bonds3

About (3S)-1-benzyl-3-[(5R)-2-oxa-7-azaspiro[4.4]nonan-7-yl]pyrrolidine-2,5-dione

(3S)-1-benzyl-3-[(5R)-2-oxa-7-azaspiro[4.4]nonan-7-yl]pyrrolidine-2,5-dione (PubChem CID 99107501) has the molecular formula C18H22N2O3 and a molecular weight of 314.38 g/mol. Its IUPAC name is (3S)-1-benzyl-3-[(5R)-2-oxa-7-azaspiro[4.4]nonan-7-yl]pyrrolidine-2,5-dione.

Molecular Properties

Compound Name(3S)-1-benzyl-3-[(5R)-2-oxa-7-azaspiro[4.4]nonan-7-yl]pyrrolidine-2,5-dione
PubChem CID99107501
Molecular FormulaC18H22N2O3
Molecular Weight314.38 g/mol
Exact Mass314.16
IUPAC Name(3S)-1-benzyl-3-[(5R)-2-oxa-7-azaspiro[4.4]nonan-7-yl]pyrrolidine-2,5-dione
SMILESO=C1C[C@H](N2CC[C@@]3(CCOC3)C2)C(=O)N1Cc1ccccc1
InChIInChI=1S/C18H22N2O3/c21-16-10-15(19-8-6-18(12-19)7-9-23-13-18)17(22)20(16)11-14-4-2-1-3-5-14/h1-5,15H,6-13H2/t15-,18+/m0/s1
InChIKeyWRYZXZTUYUUWRD-MAUKXSAKSA-N
XLogP1.43
TPSA49.85 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500314.38
LogP ≤ 51.43
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of (3S)-1-benzyl-3-[(5R)-2-oxa-7-azaspiro[4.4]nonan-7-yl]pyrrolidine-2,5-dione?
The IUPAC name of (3S)-1-benzyl-3-[(5R)-2-oxa-7-azaspiro[4.4]nonan-7-yl]pyrrolidine-2,5-dione (CID 99107501) is (3S)-1-benzyl-3-[(5R)-2-oxa-7-azaspiro[4.4]nonan-7-yl]pyrrolidine-2,5-dione.
What is the SMILES notation for (3S)-1-benzyl-3-[(5R)-2-oxa-7-azaspiro[4.4]nonan-7-yl]pyrrolidine-2,5-dione?
The canonical SMILES for (3S)-1-benzyl-3-[(5R)-2-oxa-7-azaspiro[4.4]nonan-7-yl]pyrrolidine-2,5-dione is O=C1C[C@H](N2CC[C@@]3(CCOC3)C2)C(=O)N1Cc1ccccc1.
What is the InChIKey of (3S)-1-benzyl-3-[(5R)-2-oxa-7-azaspiro[4.4]nonan-7-yl]pyrrolidine-2,5-dione?
The InChIKey is WRYZXZTUYUUWRD-MAUKXSAKSA-N. The full InChI is InChI=1S/C18H22N2O3/c21-16-10-15(19-8-6-18(12-19)7-9-23-13-18)17(22)20(16)11-14-4-2-1-3-5-14/h1-5,15H,6-13H2/t15-,18+/m0/s1.
What are the key properties of (3S)-1-benzyl-3-[(5R)-2-oxa-7-azaspiro[4.4]nonan-7-yl]pyrrolidine-2,5-dione?
(3S)-1-benzyl-3-[(5R)-2-oxa-7-azaspiro[4.4]nonan-7-yl]pyrrolidine-2,5-dione has a molecular weight of 314.38 g/mol, XLogP of 1.43, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (3S)-1-benzyl-3-[(5R)-2-oxa-7-azaspiro[4.4]nonan-7-yl]pyrrolidine-2,5-dione is sourced from PubChem (CID 99107501), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).