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

C24H19Cl2NO4 — CID 90357436

IUPAC(2R)-2-[(2R,3S)-2,3-bis(4-chlorophenyl)-5-oxomorpholin-4-yl]-2-phenylacetic acid
SMILESO=C(O)[C@@H](c1ccccc1)N1C(=O)CO[C@H](c2ccc(Cl)cc2)[C@@H]1c1ccc(Cl)cc1
InChIInChI=1S/C24H19Cl2NO4/c25-18-10-6-16(7-11-18)21-23(17-8-12-19(26)13-9-17)31-14-20(28)27(21)22(24(29)30)15-4-2-1-3-5-15/h1-13,21-23H,14H2,(H,29,30)/t21-,22+,23+/m0/s1
InChIKeyCIHVZMMIYHRVQW-YTFSRNRJSA-N
MW456.33 g/mol
LogP5.46
Rot. Bonds5

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

(2R)-2-[(2R,3S)-2,3-bis(4-chlorophenyl)-5-oxomorpholin-4-yl]-2-phenylacetic acid (PubChem CID 90357436) has the molecular formula C24H19Cl2NO4 and a molecular weight of 456.33 g/mol. Its IUPAC name is (2R)-2-[(2R,3S)-2,3-bis(4-chlorophenyl)-5-oxomorpholin-4-yl]-2-phenylacetic acid.

Molecular Properties

Compound Name(2R)-2-[(2R,3S)-2,3-bis(4-chlorophenyl)-5-oxomorpholin-4-yl]-2-phenylacetic acid
PubChem CID90357436
Molecular FormulaC24H19Cl2NO4
Molecular Weight456.33 g/mol
Exact Mass455.07
IUPAC Name(2R)-2-[(2R,3S)-2,3-bis(4-chlorophenyl)-5-oxomorpholin-4-yl]-2-phenylacetic acid
SMILESO=C(O)[C@@H](c1ccccc1)N1C(=O)CO[C@H](c2ccc(Cl)cc2)[C@@H]1c1ccc(Cl)cc1
InChIInChI=1S/C24H19Cl2NO4/c25-18-10-6-16(7-11-18)21-23(17-8-12-19(26)13-9-17)31-14-20(28)27(21)22(24(29)30)15-4-2-1-3-5-15/h1-13,21-23H,14H2,(H,29,30)/t21-,22+,23+/m0/s1
InChIKeyCIHVZMMIYHRVQW-YTFSRNRJSA-N
XLogP5.46
TPSA66.84 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms31
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500456.33
LogP ≤ 55.46
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

(2S)-2-[(2R,3S)-2,3-bis(4-chlorophenyl)-5-oxomorpholin-4-yl]-2-(4-chlorophenyl)acetamide
CID 90357019
(2R)-2-[(2R,3S)-2,3-bis(4-chlorophenyl)-5-oxomorpholin-4-yl]-3-phenylpropanoic acid
CID 90357267
(5R,6S)-5,6-bis(4-chlorophenyl)-4-[(2S)-1-hydroxypentan-2-yl]morpholin-3-one
CID 118622899
(2S)-2-[(2R,3S)-2,3-bis(4-chlorophenyl)-5-oxomorpholin-4-yl]-N,N-dimethylpentanamide
CID 90357899
4-[(2S)-1-aminopentan-2-yl]-5,6-bis(4-chlorophenyl)morpholin-3-one
CID 90357016
(5S,6R)-4-[(2R)-1-aminopentan-2-yl]-5,6-bis(4-chlorophenyl)morpholin-3-one
CID 90358282
4-[2,3-bis(4-chlorophenyl)-5-oxomorpholin-4-yl]butanoic acid
CID 144688275
6-(3-chlorophenyl)-5-(4-chlorophenyl)-4-(1-hydroxy-3-methylbutan-2-yl)morpholin-3-one
CID 123183230
(6R)-6-(3-chlorophenyl)-5-(4-chlorophenyl)-4-[(2R)-1-hydroxy-3-methylbutan-2-yl]morpholin-3-one
CID 90347752
(5R,6R)-6-(3-chlorophenyl)-5-(4-chlorophenyl)-4-(1-hydroxy-3-methylbutan-2-yl)morpholin-3-one
CID 89490757
2-[(2S,3R)-2-(4-chlorophenyl)-3-ethynyl-5-oxomorpholin-4-yl]pentanoic acid
CID 118622971
ethyl (2S)-2-[(2R,3R)-2-(3-chlorophenyl)-3-(4-chlorophenyl)-5-oxomorpholin-4-yl]butanoate
CID 90347823

Frequently Asked Questions

What is the IUPAC name of (2R)-2-[(2R,3S)-2,3-bis(4-chlorophenyl)-5-oxomorpholin-4-yl]-2-phenylacetic acid?
The IUPAC name of (2R)-2-[(2R,3S)-2,3-bis(4-chlorophenyl)-5-oxomorpholin-4-yl]-2-phenylacetic acid (CID 90357436) is (2R)-2-[(2R,3S)-2,3-bis(4-chlorophenyl)-5-oxomorpholin-4-yl]-2-phenylacetic acid.
What is the SMILES notation for (2R)-2-[(2R,3S)-2,3-bis(4-chlorophenyl)-5-oxomorpholin-4-yl]-2-phenylacetic acid?
The canonical SMILES for (2R)-2-[(2R,3S)-2,3-bis(4-chlorophenyl)-5-oxomorpholin-4-yl]-2-phenylacetic acid is O=C(O)[C@@H](c1ccccc1)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]-2-phenylacetic acid?
The InChIKey is CIHVZMMIYHRVQW-YTFSRNRJSA-N. The full InChI is InChI=1S/C24H19Cl2NO4/c25-18-10-6-16(7-11-18)21-23(17-8-12-19(26)13-9-17)31-14-20(28)27(21)22(24(29)30)15-4-2-1-3-5-15/h1-13,21-23H,14H2,(H,29,30)/t21-,22+,23+/m0/s1.
What are the key properties of (2R)-2-[(2R,3S)-2,3-bis(4-chlorophenyl)-5-oxomorpholin-4-yl]-2-phenylacetic acid?
(2R)-2-[(2R,3S)-2,3-bis(4-chlorophenyl)-5-oxomorpholin-4-yl]-2-phenylacetic acid has a molecular weight of 456.33 g/mol, XLogP of 5.46, 5 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]-2-phenylacetic acid is sourced from PubChem (CID 90357436), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).