[(2S)-1-(ethylamino)-1-oxopropan-2-yl] (2R)-2-(2,4-dichlorophenoxy)propanoate

C14H17Cl2NO4 — CID 8837826

IUPAC[(2S)-1-(ethylamino)-1-oxopropan-2-yl] (2R)-2-(2,4-dichlorophenoxy)propanoate
SMILESCCNC(=O)[C@H](C)OC(=O)[C@@H](C)Oc1ccc(Cl)cc1Cl
InChIInChI=1S/C14H17Cl2NO4/c1-4-17-13(18)8(2)21-14(19)9(3)20-12-6-5-10(15)7-11(12)16/h5-9H,4H2,1-3H3,(H,17,18)/t8-,9+/m0/s1
InChIKeyLJMCZYMBNAPNAA-DTWKUNHWSA-N
MW334.20 g/mol
LogP2.83
Rot. Bonds6

About [(2S)-1-(ethylamino)-1-oxopropan-2-yl] (2R)-2-(2,4-dichlorophenoxy)propanoate

[(2S)-1-(ethylamino)-1-oxopropan-2-yl] (2R)-2-(2,4-dichlorophenoxy)propanoate (PubChem CID 8837826) has the molecular formula C14H17Cl2NO4 and a molecular weight of 334.20 g/mol. Its IUPAC name is [(2S)-1-(ethylamino)-1-oxopropan-2-yl] (2R)-2-(2,4-dichlorophenoxy)propanoate.

Molecular Properties

Compound Name[(2S)-1-(ethylamino)-1-oxopropan-2-yl] (2R)-2-(2,4-dichlorophenoxy)propanoate
PubChem CID8837826
Molecular FormulaC14H17Cl2NO4
Molecular Weight334.20 g/mol
Exact Mass333.05
IUPAC Name[(2S)-1-(ethylamino)-1-oxopropan-2-yl] (2R)-2-(2,4-dichlorophenoxy)propanoate
SMILESCCNC(=O)[C@H](C)OC(=O)[C@@H](C)Oc1ccc(Cl)cc1Cl
InChIInChI=1S/C14H17Cl2NO4/c1-4-17-13(18)8(2)21-14(19)9(3)20-12-6-5-10(15)7-11(12)16/h5-9H,4H2,1-3H3,(H,17,18)/t8-,9+/m0/s1
InChIKeyLJMCZYMBNAPNAA-DTWKUNHWSA-N
XLogP2.83
TPSA64.63 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500334.20
LogP ≤ 52.83
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze [(2S)-1-(ethylamino)-1-oxopropan-2-yl] (2R)-2-(2,4-dichlorophenoxy)propanoate with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

[(2S)-1-oxo-1-(propylamino)propan-2-yl] (2S)-2-(2,4-dichlorophenoxy)propanoate
CID 8978186
[(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
2-[4-[(1S)-1-aminoethyl]-2-chlorophenoxy]-N-ethylpropanamide
CID 113389817
(2R)-2-(2,4-dichlorophenoxy)-N-[(2R)-2-methylbutyl]propanamide
CID 2291416
(2R)-2-(2,4-dichlorophenoxy)-N-[(2R)-2-hydroxypropyl]propanamide
CID 39950205
2-(2,4-dichlorophenoxy)-N-dodecylpropanamide
CID 4582803
2-(2,4-dichlorophenoxy)-N-nonylpropanamide
CID 4130170
[(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
2-[2-(2-aminopropyl)-4-chlorophenoxy]-N-ethylpropanamide
CID 54929160

Frequently Asked Questions

What is the IUPAC name of [(2S)-1-(ethylamino)-1-oxopropan-2-yl] (2R)-2-(2,4-dichlorophenoxy)propanoate?
The IUPAC name of [(2S)-1-(ethylamino)-1-oxopropan-2-yl] (2R)-2-(2,4-dichlorophenoxy)propanoate (CID 8837826) is [(2S)-1-(ethylamino)-1-oxopropan-2-yl] (2R)-2-(2,4-dichlorophenoxy)propanoate.
What is the SMILES notation for [(2S)-1-(ethylamino)-1-oxopropan-2-yl] (2R)-2-(2,4-dichlorophenoxy)propanoate?
The canonical SMILES for [(2S)-1-(ethylamino)-1-oxopropan-2-yl] (2R)-2-(2,4-dichlorophenoxy)propanoate is CCNC(=O)[C@H](C)OC(=O)[C@@H](C)Oc1ccc(Cl)cc1Cl.
What is the InChIKey of [(2S)-1-(ethylamino)-1-oxopropan-2-yl] (2R)-2-(2,4-dichlorophenoxy)propanoate?
The InChIKey is LJMCZYMBNAPNAA-DTWKUNHWSA-N. The full InChI is InChI=1S/C14H17Cl2NO4/c1-4-17-13(18)8(2)21-14(19)9(3)20-12-6-5-10(15)7-11(12)16/h5-9H,4H2,1-3H3,(H,17,18)/t8-,9+/m0/s1.
What are the key properties of [(2S)-1-(ethylamino)-1-oxopropan-2-yl] (2R)-2-(2,4-dichlorophenoxy)propanoate?
[(2S)-1-(ethylamino)-1-oxopropan-2-yl] (2R)-2-(2,4-dichlorophenoxy)propanoate has a molecular weight of 334.20 g/mol, XLogP of 2.83, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [(2S)-1-(ethylamino)-1-oxopropan-2-yl] (2R)-2-(2,4-dichlorophenoxy)propanoate is sourced from PubChem (CID 8837826), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).