(3S)-3-(dibenzylamino)oxolan-2-one

C18H19NO2 — CID 14437860

IUPAC(3S)-3-(dibenzylamino)oxolan-2-one
SMILESO=C1OCC[C@@H]1N(Cc1ccccc1)Cc1ccccc1
InChIInChI=1S/C18H19NO2/c20-18-17(11-12-21-18)19(13-15-7-3-1-4-8-15)14-16-9-5-2-6-10-16/h1-10,17H,11-14H2/t17-/m0/s1
InChIKeyIFLRXZKXWZQHIY-KRWDZBQOSA-N
MW281.36 g/mol
LogP3.00
Rot. Bonds5

About (3S)-3-(dibenzylamino)oxolan-2-one

(3S)-3-(dibenzylamino)oxolan-2-one (PubChem CID 14437860) has the molecular formula C18H19NO2 and a molecular weight of 281.36 g/mol. Its IUPAC name is (3S)-3-(dibenzylamino)oxolan-2-one.

Molecular Properties

Compound Name(3S)-3-(dibenzylamino)oxolan-2-one
PubChem CID14437860
Molecular FormulaC18H19NO2
Molecular Weight281.36 g/mol
Exact Mass281.14
IUPAC Name(3S)-3-(dibenzylamino)oxolan-2-one
SMILESO=C1OCC[C@@H]1N(Cc1ccccc1)Cc1ccccc1
InChIInChI=1S/C18H19NO2/c20-18-17(11-12-21-18)19(13-15-7-3-1-4-8-15)14-16-9-5-2-6-10-16/h1-10,17H,11-14H2/t17-/m0/s1
InChIKeyIFLRXZKXWZQHIY-KRWDZBQOSA-N
XLogP3.00
TPSA29.54 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500281.36
LogP ≤ 53.00
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of (3S)-3-(dibenzylamino)oxolan-2-one?
The IUPAC name of (3S)-3-(dibenzylamino)oxolan-2-one (CID 14437860) is (3S)-3-(dibenzylamino)oxolan-2-one.
What is the SMILES notation for (3S)-3-(dibenzylamino)oxolan-2-one?
The canonical SMILES for (3S)-3-(dibenzylamino)oxolan-2-one is O=C1OCC[C@@H]1N(Cc1ccccc1)Cc1ccccc1.
What is the InChIKey of (3S)-3-(dibenzylamino)oxolan-2-one?
The InChIKey is IFLRXZKXWZQHIY-KRWDZBQOSA-N. The full InChI is InChI=1S/C18H19NO2/c20-18-17(11-12-21-18)19(13-15-7-3-1-4-8-15)14-16-9-5-2-6-10-16/h1-10,17H,11-14H2/t17-/m0/s1.
What are the key properties of (3S)-3-(dibenzylamino)oxolan-2-one?
(3S)-3-(dibenzylamino)oxolan-2-one has a molecular weight of 281.36 g/mol, XLogP of 3.00, 5 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (3S)-3-(dibenzylamino)oxolan-2-one is sourced from PubChem (CID 14437860), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).