[(2S)-1-oxo-1-(propylamino)propan-2-yl] (2S)-2-(2,4-dichlorophenoxy)propanoate

C15H19Cl2NO4 — CID 8978186

IUPAC[(2S)-1-oxo-1-(propylamino)propan-2-yl] (2S)-2-(2,4-dichlorophenoxy)propanoate
SMILESCCCNC(=O)[C@H](C)OC(=O)[C@H](C)Oc1ccc(Cl)cc1Cl
InChIInChI=1S/C15H19Cl2NO4/c1-4-7-18-14(19)9(2)22-15(20)10(3)21-13-6-5-11(16)8-12(13)17/h5-6,8-10H,4,7H2,1-3H3,(H,18,19)/t9-,10-/m0/s1
InChIKeyLVGFCAOSBVVHPM-UWVGGRQHSA-N
MW348.23 g/mol
LogP3.22
Rot. Bonds7

About [(2S)-1-oxo-1-(propylamino)propan-2-yl] (2S)-2-(2,4-dichlorophenoxy)propanoate

[(2S)-1-oxo-1-(propylamino)propan-2-yl] (2S)-2-(2,4-dichlorophenoxy)propanoate (PubChem CID 8978186) has the molecular formula C15H19Cl2NO4 and a molecular weight of 348.23 g/mol. Its IUPAC name is [(2S)-1-oxo-1-(propylamino)propan-2-yl] (2S)-2-(2,4-dichlorophenoxy)propanoate.

Molecular Properties

Compound Name[(2S)-1-oxo-1-(propylamino)propan-2-yl] (2S)-2-(2,4-dichlorophenoxy)propanoate
PubChem CID8978186
Molecular FormulaC15H19Cl2NO4
Molecular Weight348.23 g/mol
Exact Mass347.07
IUPAC Name[(2S)-1-oxo-1-(propylamino)propan-2-yl] (2S)-2-(2,4-dichlorophenoxy)propanoate
SMILESCCCNC(=O)[C@H](C)OC(=O)[C@H](C)Oc1ccc(Cl)cc1Cl
InChIInChI=1S/C15H19Cl2NO4/c1-4-7-18-14(19)9(2)22-15(20)10(3)21-13-6-5-11(16)8-12(13)17/h5-6,8-10H,4,7H2,1-3H3,(H,18,19)/t9-,10-/m0/s1
InChIKeyLVGFCAOSBVVHPM-UWVGGRQHSA-N
XLogP3.22
TPSA64.63 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500348.23
LogP ≤ 53.22
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

[(2S)-1-(ethylamino)-1-oxopropan-2-yl] (2R)-2-(2,4-dichlorophenoxy)propanoate
CID 8837826
2-(2,4-dichlorophenoxy)-N-nonylpropanamide
CID 4130170
2-(2,4-dichlorophenoxy)-N-dodecylpropanamide
CID 4582803
[(2S)-1-(4-ethylanilino)-1-oxopropan-2-yl] (2R)-2-(2,4-dichlorophenoxy)propanoate
CID 7872819
[(2R)-1-(cyclopropylamino)-1-oxopropan-2-yl] (2R)-2-(2,4-dichlorophenoxy)propanoate
CID 7862559
(2R)-2-(2,4-dichlorophenoxy)-N-ethoxypropanamide
CID 30690113
(2R)-2-(2,4-dichlorophenoxy)-N-[(2R)-2-methylbutyl]propanamide
CID 2291416
4-[2-(2,4-dichlorophenoxy)propanoylamino]butanoic acid
CID 43239301
(2R)-2-(2,4-dichlorophenoxy)-N-[(2R)-2-hydroxypropyl]propanamide
CID 39950205
(2S)-2-(2,4-dichlorophenoxy)-N-[(2S)-pentan-2-yl]propanamide
CID 2169643
[(2S)-1-(2-methoxyanilino)-1-oxopropan-2-yl] (2S)-2-(2,4-dichlorophenoxy)propanoate
CID 7862498
amino (2S)-2-(2,4-dichlorophenoxy)propanoate
CID 170104927

Frequently Asked Questions

What is the IUPAC name of [(2S)-1-oxo-1-(propylamino)propan-2-yl] (2S)-2-(2,4-dichlorophenoxy)propanoate?
The IUPAC name of [(2S)-1-oxo-1-(propylamino)propan-2-yl] (2S)-2-(2,4-dichlorophenoxy)propanoate (CID 8978186) is [(2S)-1-oxo-1-(propylamino)propan-2-yl] (2S)-2-(2,4-dichlorophenoxy)propanoate.
What is the SMILES notation for [(2S)-1-oxo-1-(propylamino)propan-2-yl] (2S)-2-(2,4-dichlorophenoxy)propanoate?
The canonical SMILES for [(2S)-1-oxo-1-(propylamino)propan-2-yl] (2S)-2-(2,4-dichlorophenoxy)propanoate is CCCNC(=O)[C@H](C)OC(=O)[C@H](C)Oc1ccc(Cl)cc1Cl.
What is the InChIKey of [(2S)-1-oxo-1-(propylamino)propan-2-yl] (2S)-2-(2,4-dichlorophenoxy)propanoate?
The InChIKey is LVGFCAOSBVVHPM-UWVGGRQHSA-N. The full InChI is InChI=1S/C15H19Cl2NO4/c1-4-7-18-14(19)9(2)22-15(20)10(3)21-13-6-5-11(16)8-12(13)17/h5-6,8-10H,4,7H2,1-3H3,(H,18,19)/t9-,10-/m0/s1.
What are the key properties of [(2S)-1-oxo-1-(propylamino)propan-2-yl] (2S)-2-(2,4-dichlorophenoxy)propanoate?
[(2S)-1-oxo-1-(propylamino)propan-2-yl] (2S)-2-(2,4-dichlorophenoxy)propanoate has a molecular weight of 348.23 g/mol, XLogP of 3.22, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [(2S)-1-oxo-1-(propylamino)propan-2-yl] (2S)-2-(2,4-dichlorophenoxy)propanoate is sourced from PubChem (CID 8978186), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).