(2R)-2-[(2R,3S)-2,3-bis(4-chlorophenyl)-5-oxomorpholin-4-yl]-3-phenylpropanoic acid

C25H21Cl2NO4 — CID 90357267

IUPAC(2R)-2-[(2R,3S)-2,3-bis(4-chlorophenyl)-5-oxomorpholin-4-yl]-3-phenylpropanoic acid
SMILESO=C(O)[C@@H](Cc1ccccc1)N1C(=O)CO[C@H](c2ccc(Cl)cc2)[C@@H]1c1ccc(Cl)cc1
InChIInChI=1S/C25H21Cl2NO4/c26-19-10-6-17(7-11-19)23-24(18-8-12-20(27)13-9-18)32-15-22(29)28(23)21(25(30)31)14-16-4-2-1-3-5-16/h1-13,21,23-24H,14-15H2,(H,30,31)/t21-,23+,24-/m1/s1
InChIKeyYEWIXZBJFKGKIX-YFNKSVMNSA-N
MW470.35 g/mol
LogP5.33
Rot. Bonds6

About (2R)-2-[(2R,3S)-2,3-bis(4-chlorophenyl)-5-oxomorpholin-4-yl]-3-phenylpropanoic acid

(2R)-2-[(2R,3S)-2,3-bis(4-chlorophenyl)-5-oxomorpholin-4-yl]-3-phenylpropanoic acid (PubChem CID 90357267) has the molecular formula C25H21Cl2NO4 and a molecular weight of 470.35 g/mol. Its IUPAC name is (2R)-2-[(2R,3S)-2,3-bis(4-chlorophenyl)-5-oxomorpholin-4-yl]-3-phenylpropanoic acid.

Molecular Properties

Compound Name(2R)-2-[(2R,3S)-2,3-bis(4-chlorophenyl)-5-oxomorpholin-4-yl]-3-phenylpropanoic acid
PubChem CID90357267
Molecular FormulaC25H21Cl2NO4
Molecular Weight470.35 g/mol
Exact Mass469.08
IUPAC Name(2R)-2-[(2R,3S)-2,3-bis(4-chlorophenyl)-5-oxomorpholin-4-yl]-3-phenylpropanoic acid
SMILESO=C(O)[C@@H](Cc1ccccc1)N1C(=O)CO[C@H](c2ccc(Cl)cc2)[C@@H]1c1ccc(Cl)cc1
InChIInChI=1S/C25H21Cl2NO4/c26-19-10-6-17(7-11-19)23-24(18-8-12-20(27)13-9-18)32-15-22(29)28(23)21(25(30)31)14-16-4-2-1-3-5-16/h1-13,21,23-24H,14-15H2,(H,30,31)/t21-,23+,24-/m1/s1
InChIKeyYEWIXZBJFKGKIX-YFNKSVMNSA-N
XLogP5.33
TPSA66.84 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms32
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500470.35
LogP ≤ 55.33
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of (2R)-2-[(2R,3S)-2,3-bis(4-chlorophenyl)-5-oxomorpholin-4-yl]-3-phenylpropanoic acid?
The IUPAC name of (2R)-2-[(2R,3S)-2,3-bis(4-chlorophenyl)-5-oxomorpholin-4-yl]-3-phenylpropanoic acid (CID 90357267) is (2R)-2-[(2R,3S)-2,3-bis(4-chlorophenyl)-5-oxomorpholin-4-yl]-3-phenylpropanoic acid.
What is the SMILES notation for (2R)-2-[(2R,3S)-2,3-bis(4-chlorophenyl)-5-oxomorpholin-4-yl]-3-phenylpropanoic acid?
The canonical SMILES for (2R)-2-[(2R,3S)-2,3-bis(4-chlorophenyl)-5-oxomorpholin-4-yl]-3-phenylpropanoic acid is O=C(O)[C@@H](Cc1ccccc1)N1C(=O)CO[C@H](c2ccc(Cl)cc2)[C@@H]1c1ccc(Cl)cc1.
What is the InChIKey of (2R)-2-[(2R,3S)-2,3-bis(4-chlorophenyl)-5-oxomorpholin-4-yl]-3-phenylpropanoic acid?
The InChIKey is YEWIXZBJFKGKIX-YFNKSVMNSA-N. The full InChI is InChI=1S/C25H21Cl2NO4/c26-19-10-6-17(7-11-19)23-24(18-8-12-20(27)13-9-18)32-15-22(29)28(23)21(25(30)31)14-16-4-2-1-3-5-16/h1-13,21,23-24H,14-15H2,(H,30,31)/t21-,23+,24-/m1/s1.
What are the key properties of (2R)-2-[(2R,3S)-2,3-bis(4-chlorophenyl)-5-oxomorpholin-4-yl]-3-phenylpropanoic acid?
(2R)-2-[(2R,3S)-2,3-bis(4-chlorophenyl)-5-oxomorpholin-4-yl]-3-phenylpropanoic acid has a molecular weight of 470.35 g/mol, XLogP of 5.33, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-2-[(2R,3S)-2,3-bis(4-chlorophenyl)-5-oxomorpholin-4-yl]-3-phenylpropanoic acid is sourced from PubChem (CID 90357267), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).