(3S,5S)-5-phenyl-3-[[(1S)-1-phenylethyl]amino]oxolan-2-one

C18H19NO2 — CID 53381213

IUPAC(3S,5S)-5-phenyl-3-[[(1S)-1-phenylethyl]amino]oxolan-2-one
SMILESC[C@H](N[C@H]1C[C@@H](c2ccccc2)OC1=O)c1ccccc1
InChIInChI=1S/C18H19NO2/c1-13(14-8-4-2-5-9-14)19-16-12-17(21-18(16)20)15-10-6-3-7-11-15/h2-11,13,16-17,19H,12H2,1H3/t13-,16-,17-/m0/s1
InChIKeySAZCMWSLTRWBFY-JQFCIGGWSA-N
MW281.36 g/mol
LogP3.39
Rot. Bonds4

About (3S,5S)-5-phenyl-3-[[(1S)-1-phenylethyl]amino]oxolan-2-one

(3S,5S)-5-phenyl-3-[[(1S)-1-phenylethyl]amino]oxolan-2-one (PubChem CID 53381213) has the molecular formula C18H19NO2 and a molecular weight of 281.36 g/mol. Its IUPAC name is (3S,5S)-5-phenyl-3-[[(1S)-1-phenylethyl]amino]oxolan-2-one.

Molecular Properties

Compound Name(3S,5S)-5-phenyl-3-[[(1S)-1-phenylethyl]amino]oxolan-2-one
PubChem CID53381213
Molecular FormulaC18H19NO2
Molecular Weight281.36 g/mol
Exact Mass281.14
IUPAC Name(3S,5S)-5-phenyl-3-[[(1S)-1-phenylethyl]amino]oxolan-2-one
SMILESC[C@H](N[C@H]1C[C@@H](c2ccccc2)OC1=O)c1ccccc1
InChIInChI=1S/C18H19NO2/c1-13(14-8-4-2-5-9-14)19-16-12-17(21-18(16)20)15-10-6-3-7-11-15/h2-11,13,16-17,19H,12H2,1H3/t13-,16-,17-/m0/s1
InChIKeySAZCMWSLTRWBFY-JQFCIGGWSA-N
XLogP3.39
TPSA38.33 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500281.36
LogP ≤ 53.39
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of (3S,5S)-5-phenyl-3-[[(1S)-1-phenylethyl]amino]oxolan-2-one?
The IUPAC name of (3S,5S)-5-phenyl-3-[[(1S)-1-phenylethyl]amino]oxolan-2-one (CID 53381213) is (3S,5S)-5-phenyl-3-[[(1S)-1-phenylethyl]amino]oxolan-2-one.
What is the SMILES notation for (3S,5S)-5-phenyl-3-[[(1S)-1-phenylethyl]amino]oxolan-2-one?
The canonical SMILES for (3S,5S)-5-phenyl-3-[[(1S)-1-phenylethyl]amino]oxolan-2-one is C[C@H](N[C@H]1C[C@@H](c2ccccc2)OC1=O)c1ccccc1.
What is the InChIKey of (3S,5S)-5-phenyl-3-[[(1S)-1-phenylethyl]amino]oxolan-2-one?
The InChIKey is SAZCMWSLTRWBFY-JQFCIGGWSA-N. The full InChI is InChI=1S/C18H19NO2/c1-13(14-8-4-2-5-9-14)19-16-12-17(21-18(16)20)15-10-6-3-7-11-15/h2-11,13,16-17,19H,12H2,1H3/t13-,16-,17-/m0/s1.
What are the key properties of (3S,5S)-5-phenyl-3-[[(1S)-1-phenylethyl]amino]oxolan-2-one?
(3S,5S)-5-phenyl-3-[[(1S)-1-phenylethyl]amino]oxolan-2-one has a molecular weight of 281.36 g/mol, XLogP of 3.39, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (3S,5S)-5-phenyl-3-[[(1S)-1-phenylethyl]amino]oxolan-2-one is sourced from PubChem (CID 53381213), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).