[(1R)-2-(cyclopropylamino)-2-oxo-1-phenylethyl] (2R)-2-(2,4-dichlorophenoxy)propanoate

C20H19Cl2NO4 — CID 8837824

IUPAC[(1R)-2-(cyclopropylamino)-2-oxo-1-phenylethyl] (2R)-2-(2,4-dichlorophenoxy)propanoate
SMILESC[C@@H](Oc1ccc(Cl)cc1Cl)C(=O)O[C@@H](C(=O)NC1CC1)c1ccccc1
InChIInChI=1S/C20H19Cl2NO4/c1-12(26-17-10-7-14(21)11-16(17)22)20(25)27-18(13-5-3-2-4-6-13)19(24)23-15-8-9-15/h2-7,10-12,15,18H,8-9H2,1H3,(H,23,24)/t12-,18-/m1/s1
InChIKeyLMDMGLMIICZBPV-KZULUSFZSA-N
MW408.28 g/mol
LogP4.32
Rot. Bonds7

About [(1R)-2-(cyclopropylamino)-2-oxo-1-phenylethyl] (2R)-2-(2,4-dichlorophenoxy)propanoate

[(1R)-2-(cyclopropylamino)-2-oxo-1-phenylethyl] (2R)-2-(2,4-dichlorophenoxy)propanoate (PubChem CID 8837824) has the molecular formula C20H19Cl2NO4 and a molecular weight of 408.28 g/mol. Its IUPAC name is [(1R)-2-(cyclopropylamino)-2-oxo-1-phenylethyl] (2R)-2-(2,4-dichlorophenoxy)propanoate.

Molecular Properties

Compound Name[(1R)-2-(cyclopropylamino)-2-oxo-1-phenylethyl] (2R)-2-(2,4-dichlorophenoxy)propanoate
PubChem CID8837824
Molecular FormulaC20H19Cl2NO4
Molecular Weight408.28 g/mol
Exact Mass407.07
IUPAC Name[(1R)-2-(cyclopropylamino)-2-oxo-1-phenylethyl] (2R)-2-(2,4-dichlorophenoxy)propanoate
SMILESC[C@@H](Oc1ccc(Cl)cc1Cl)C(=O)O[C@@H](C(=O)NC1CC1)c1ccccc1
InChIInChI=1S/C20H19Cl2NO4/c1-12(26-17-10-7-14(21)11-16(17)22)20(25)27-18(13-5-3-2-4-6-13)19(24)23-15-8-9-15/h2-7,10-12,15,18H,8-9H2,1H3,(H,23,24)/t12-,18-/m1/s1
InChIKeyLMDMGLMIICZBPV-KZULUSFZSA-N
XLogP4.32
TPSA64.63 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500408.28
LogP ≤ 54.32
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze [(1R)-2-(cyclopropylamino)-2-oxo-1-phenylethyl] (2R)-2-(2,4-dichlorophenoxy)propanoate with MolForge

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Related Compounds

[(2R)-1-(cyclopropylamino)-1-oxopropan-2-yl] (2R)-2-(2,4-dichlorophenoxy)propanoate
CID 7862559
(2R)-N-cyclopropyl-2-(2,4-dichlorophenoxy)propanamide
CID 898786
(2S)-N-cyclopropyl-2-(2,4-dichlorophenoxy)propanamide
CID 898785
[(1R)-2-(cyclopropylamino)-2-oxo-1-phenylethyl] (2S)-2-(4-fluorophenoxy)propanoate
CID 8637077
(2S)-2-(2,4-dichlorophenoxy)-2-phenylacetic acid
CID 42233563
[2-(cyclopropylcarbamoylamino)-2-oxoethyl] (2R)-2-(2,4-dichlorophenoxy)propanoate
CID 7862297
[(1R)-2-(cyclopropylamino)-2-oxo-1-phenylethyl] (2S)-2-(4-cyanophenoxy)propanoate
CID 8636320
[(1R)-2-(cyclopropylamino)-2-oxo-1-phenylethyl] (2S)-2-hydroxy-2-phenylacetate
CID 9414934
(2S)-2-(2-chloro-4-phenylphenoxy)-N-cyclopentylpropanamide
CID 7652970
(2S)-N-cyclopropyl-2-methoxy-2-phenylacetamide
CID 958449
[2-oxo-2-[[(1S)-1-phenylethyl]amino]ethyl] (2S)-2-(2,4-dichlorophenoxy)propanoate
CID 7872991
(2R)-2-(2,4-dichlorophenoxy)-N-[(2R)-2-(dimethylamino)-2-phenylethyl]propanamide
CID 27230023

Frequently Asked Questions

What is the IUPAC name of [(1R)-2-(cyclopropylamino)-2-oxo-1-phenylethyl] (2R)-2-(2,4-dichlorophenoxy)propanoate?
The IUPAC name of [(1R)-2-(cyclopropylamino)-2-oxo-1-phenylethyl] (2R)-2-(2,4-dichlorophenoxy)propanoate (CID 8837824) is [(1R)-2-(cyclopropylamino)-2-oxo-1-phenylethyl] (2R)-2-(2,4-dichlorophenoxy)propanoate.
What is the SMILES notation for [(1R)-2-(cyclopropylamino)-2-oxo-1-phenylethyl] (2R)-2-(2,4-dichlorophenoxy)propanoate?
The canonical SMILES for [(1R)-2-(cyclopropylamino)-2-oxo-1-phenylethyl] (2R)-2-(2,4-dichlorophenoxy)propanoate is C[C@@H](Oc1ccc(Cl)cc1Cl)C(=O)O[C@@H](C(=O)NC1CC1)c1ccccc1.
What is the InChIKey of [(1R)-2-(cyclopropylamino)-2-oxo-1-phenylethyl] (2R)-2-(2,4-dichlorophenoxy)propanoate?
The InChIKey is LMDMGLMIICZBPV-KZULUSFZSA-N. The full InChI is InChI=1S/C20H19Cl2NO4/c1-12(26-17-10-7-14(21)11-16(17)22)20(25)27-18(13-5-3-2-4-6-13)19(24)23-15-8-9-15/h2-7,10-12,15,18H,8-9H2,1H3,(H,23,24)/t12-,18-/m1/s1.
What are the key properties of [(1R)-2-(cyclopropylamino)-2-oxo-1-phenylethyl] (2R)-2-(2,4-dichlorophenoxy)propanoate?
[(1R)-2-(cyclopropylamino)-2-oxo-1-phenylethyl] (2R)-2-(2,4-dichlorophenoxy)propanoate has a molecular weight of 408.28 g/mol, XLogP of 4.32, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [(1R)-2-(cyclopropylamino)-2-oxo-1-phenylethyl] (2R)-2-(2,4-dichlorophenoxy)propanoate is sourced from PubChem (CID 8837824), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).