[2-oxo-2-[[(1S)-1-phenylethyl]amino]ethyl] (2S)-2-(2,4-dichlorophenoxy)propanoate

C19H19Cl2NO4 — CID 7872991

IUPAC[2-oxo-2-[[(1S)-1-phenylethyl]amino]ethyl] (2S)-2-(2,4-dichlorophenoxy)propanoate
SMILESC[C@H](Oc1ccc(Cl)cc1Cl)C(=O)OCC(=O)N[C@@H](C)c1ccccc1
InChIInChI=1S/C19H19Cl2NO4/c1-12(14-6-4-3-5-7-14)22-18(23)11-25-19(24)13(2)26-17-9-8-15(20)10-16(17)21/h3-10,12-13H,11H2,1-2H3,(H,22,23)/t12-,13-/m0/s1
InChIKeyIWSUBQOIHMWWLI-STQMWFEESA-N
MW396.27 g/mol
LogP4.18
Rot. Bonds7

About [2-oxo-2-[[(1S)-1-phenylethyl]amino]ethyl] (2S)-2-(2,4-dichlorophenoxy)propanoate

[2-oxo-2-[[(1S)-1-phenylethyl]amino]ethyl] (2S)-2-(2,4-dichlorophenoxy)propanoate (PubChem CID 7872991) has the molecular formula C19H19Cl2NO4 and a molecular weight of 396.27 g/mol. Its IUPAC name is [2-oxo-2-[[(1S)-1-phenylethyl]amino]ethyl] (2S)-2-(2,4-dichlorophenoxy)propanoate.

Molecular Properties

Compound Name[2-oxo-2-[[(1S)-1-phenylethyl]amino]ethyl] (2S)-2-(2,4-dichlorophenoxy)propanoate
PubChem CID7872991
Molecular FormulaC19H19Cl2NO4
Molecular Weight396.27 g/mol
Exact Mass395.07
IUPAC Name[2-oxo-2-[[(1S)-1-phenylethyl]amino]ethyl] (2S)-2-(2,4-dichlorophenoxy)propanoate
SMILESC[C@H](Oc1ccc(Cl)cc1Cl)C(=O)OCC(=O)N[C@@H](C)c1ccccc1
InChIInChI=1S/C19H19Cl2NO4/c1-12(14-6-4-3-5-7-14)22-18(23)11-25-19(24)13(2)26-17-9-8-15(20)10-16(17)21/h3-10,12-13H,11H2,1-2H3,(H,22,23)/t12-,13-/m0/s1
InChIKeyIWSUBQOIHMWWLI-STQMWFEESA-N
XLogP4.18
TPSA64.63 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500396.27
LogP ≤ 54.18
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze [2-oxo-2-[[(1S)-1-phenylethyl]amino]ethyl] (2S)-2-(2,4-dichlorophenoxy)propanoate with MolForge

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Related Compounds

[2-(methylamino)-2-oxoethyl] (2R)-2-(2,4-dichlorophenoxy)propanoate
CID 7862401
[2-oxo-2-(2-phenylethylamino)ethyl] (2S)-2-(2,4-dichlorophenoxy)propanoate
CID 7862689
(2-amino-2-oxoethyl) (2R)-2-(2,4-dichlorophenoxy)propanoate
CID 7862593
phenacyl (2R)-2-(2,4-dichlorophenoxy)propanoate
CID 1336816
[2-(4-chloroanilino)-2-oxoethyl] 2-(2,4-dichlorophenoxy)propanoate
CID 2927512
[2-(4-chloroanilino)-2-oxoethyl] (2S)-2-(2,4-dichlorophenoxy)propanoate
CID 1322745
[2-[[(1R)-1-(3-chlorophenyl)ethyl]amino]-2-oxoethyl] (2S)-2-(4-chlorophenoxy)propanoate
CID 8868247
[2-oxo-2-(2-propan-2-ylanilino)ethyl] (2S)-2-(2,4-dichlorophenoxy)propanoate
CID 7872987
[2-(4-acetamidoanilino)-2-oxoethyl] 2-(2,4-dichlorophenoxy)propanoate
CID 23764450
[2-(2,6-difluoroanilino)-2-oxoethyl] (2R)-2-(2,4-dichlorophenoxy)propanoate
CID 7872971
[2-[[(1S)-1-(2,4-dichlorophenyl)ethyl]amino]-2-oxoethyl] (2R)-2-hydroxy-2-phenylacetate
CID 7834173
[2-(2-methoxyethylamino)-2-oxoethyl] (2S)-2-(2,4-dichlorophenoxy)propanoate
CID 7862378

Frequently Asked Questions

What is the IUPAC name of [2-oxo-2-[[(1S)-1-phenylethyl]amino]ethyl] (2S)-2-(2,4-dichlorophenoxy)propanoate?
The IUPAC name of [2-oxo-2-[[(1S)-1-phenylethyl]amino]ethyl] (2S)-2-(2,4-dichlorophenoxy)propanoate (CID 7872991) is [2-oxo-2-[[(1S)-1-phenylethyl]amino]ethyl] (2S)-2-(2,4-dichlorophenoxy)propanoate.
What is the SMILES notation for [2-oxo-2-[[(1S)-1-phenylethyl]amino]ethyl] (2S)-2-(2,4-dichlorophenoxy)propanoate?
The canonical SMILES for [2-oxo-2-[[(1S)-1-phenylethyl]amino]ethyl] (2S)-2-(2,4-dichlorophenoxy)propanoate is C[C@H](Oc1ccc(Cl)cc1Cl)C(=O)OCC(=O)N[C@@H](C)c1ccccc1.
What is the InChIKey of [2-oxo-2-[[(1S)-1-phenylethyl]amino]ethyl] (2S)-2-(2,4-dichlorophenoxy)propanoate?
The InChIKey is IWSUBQOIHMWWLI-STQMWFEESA-N. The full InChI is InChI=1S/C19H19Cl2NO4/c1-12(14-6-4-3-5-7-14)22-18(23)11-25-19(24)13(2)26-17-9-8-15(20)10-16(17)21/h3-10,12-13H,11H2,1-2H3,(H,22,23)/t12-,13-/m0/s1.
What are the key properties of [2-oxo-2-[[(1S)-1-phenylethyl]amino]ethyl] (2S)-2-(2,4-dichlorophenoxy)propanoate?
[2-oxo-2-[[(1S)-1-phenylethyl]amino]ethyl] (2S)-2-(2,4-dichlorophenoxy)propanoate has a molecular weight of 396.27 g/mol, XLogP of 4.18, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [2-oxo-2-[[(1S)-1-phenylethyl]amino]ethyl] (2S)-2-(2,4-dichlorophenoxy)propanoate is sourced from PubChem (CID 7872991), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).