(2S)-2-[(1S)-1-(dibenzylamino)ethyl]oxolan-3-one

C20H23NO2 — CID 11045089

IUPAC(2S)-2-[(1S)-1-(dibenzylamino)ethyl]oxolan-3-one
SMILESC[C@@H]([C@@H]1OCCC1=O)N(Cc1ccccc1)Cc1ccccc1
InChIInChI=1S/C20H23NO2/c1-16(20-19(22)12-13-23-20)21(14-17-8-4-2-5-9-17)15-18-10-6-3-7-11-18/h2-11,16,20H,12-15H2,1H3/t16-,20-/m0/s1
InChIKeyXLHYZVNOUBQUGS-JXFKEZNVSA-N
MW309.41 g/mol
LogP3.44
Rot. Bonds6

About (2S)-2-[(1S)-1-(dibenzylamino)ethyl]oxolan-3-one

(2S)-2-[(1S)-1-(dibenzylamino)ethyl]oxolan-3-one (PubChem CID 11045089) has the molecular formula C20H23NO2 and a molecular weight of 309.41 g/mol. Its IUPAC name is (2S)-2-[(1S)-1-(dibenzylamino)ethyl]oxolan-3-one.

Molecular Properties

Compound Name(2S)-2-[(1S)-1-(dibenzylamino)ethyl]oxolan-3-one
PubChem CID11045089
Molecular FormulaC20H23NO2
Molecular Weight309.41 g/mol
Exact Mass309.17
IUPAC Name(2S)-2-[(1S)-1-(dibenzylamino)ethyl]oxolan-3-one
SMILESC[C@@H]([C@@H]1OCCC1=O)N(Cc1ccccc1)Cc1ccccc1
InChIInChI=1S/C20H23NO2/c1-16(20-19(22)12-13-23-20)21(14-17-8-4-2-5-9-17)15-18-10-6-3-7-11-18/h2-11,16,20H,12-15H2,1H3/t16-,20-/m0/s1
InChIKeyXLHYZVNOUBQUGS-JXFKEZNVSA-N
XLogP3.44
TPSA29.54 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500309.41
LogP ≤ 53.44
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of (2S)-2-[(1S)-1-(dibenzylamino)ethyl]oxolan-3-one?
The IUPAC name of (2S)-2-[(1S)-1-(dibenzylamino)ethyl]oxolan-3-one (CID 11045089) is (2S)-2-[(1S)-1-(dibenzylamino)ethyl]oxolan-3-one.
What is the SMILES notation for (2S)-2-[(1S)-1-(dibenzylamino)ethyl]oxolan-3-one?
The canonical SMILES for (2S)-2-[(1S)-1-(dibenzylamino)ethyl]oxolan-3-one is C[C@@H]([C@@H]1OCCC1=O)N(Cc1ccccc1)Cc1ccccc1.
What is the InChIKey of (2S)-2-[(1S)-1-(dibenzylamino)ethyl]oxolan-3-one?
The InChIKey is XLHYZVNOUBQUGS-JXFKEZNVSA-N. The full InChI is InChI=1S/C20H23NO2/c1-16(20-19(22)12-13-23-20)21(14-17-8-4-2-5-9-17)15-18-10-6-3-7-11-18/h2-11,16,20H,12-15H2,1H3/t16-,20-/m0/s1.
What are the key properties of (2S)-2-[(1S)-1-(dibenzylamino)ethyl]oxolan-3-one?
(2S)-2-[(1S)-1-(dibenzylamino)ethyl]oxolan-3-one has a molecular weight of 309.41 g/mol, XLogP of 3.44, 6 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-2-[(1S)-1-(dibenzylamino)ethyl]oxolan-3-one is sourced from PubChem (CID 11045089), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).