[2-oxo-2-[[(2R)-pentan-2-yl]amino]ethyl] 2-(2,4,5-trichlorophenoxy)acetate

C15H18Cl3NO4 — CID 7999915

IUPAC[2-oxo-2-[[(2R)-pentan-2-yl]amino]ethyl] 2-(2,4,5-trichlorophenoxy)acetate
SMILESCCC[C@@H](C)NC(=O)COC(=O)COc1cc(Cl)c(Cl)cc1Cl
InChIInChI=1S/C15H18Cl3NO4/c1-3-4-9(2)19-14(20)7-23-15(21)8-22-13-6-11(17)10(16)5-12(13)18/h5-6,9H,3-4,7-8H2,1-2H3,(H,19,20)/t9-/m1/s1
InChIKeyUAZJPCRCGYAXNO-SECBINFHSA-N
MW382.67 g/mol
LogP3.87
Rot. Bonds8

About [2-oxo-2-[[(2R)-pentan-2-yl]amino]ethyl] 2-(2,4,5-trichlorophenoxy)acetate

[2-oxo-2-[[(2R)-pentan-2-yl]amino]ethyl] 2-(2,4,5-trichlorophenoxy)acetate (PubChem CID 7999915) has the molecular formula C15H18Cl3NO4 and a molecular weight of 382.67 g/mol. Its IUPAC name is [2-oxo-2-[[(2R)-pentan-2-yl]amino]ethyl] 2-(2,4,5-trichlorophenoxy)acetate.

Molecular Properties

Compound Name[2-oxo-2-[[(2R)-pentan-2-yl]amino]ethyl] 2-(2,4,5-trichlorophenoxy)acetate
PubChem CID7999915
Molecular FormulaC15H18Cl3NO4
Molecular Weight382.67 g/mol
Exact Mass381.03
IUPAC Name[2-oxo-2-[[(2R)-pentan-2-yl]amino]ethyl] 2-(2,4,5-trichlorophenoxy)acetate
SMILESCCC[C@@H](C)NC(=O)COC(=O)COc1cc(Cl)c(Cl)cc1Cl
InChIInChI=1S/C15H18Cl3NO4/c1-3-4-9(2)19-14(20)7-23-15(21)8-22-13-6-11(17)10(16)5-12(13)18/h5-6,9H,3-4,7-8H2,1-2H3,(H,19,20)/t9-/m1/s1
InChIKeyUAZJPCRCGYAXNO-SECBINFHSA-N
XLogP3.87
TPSA64.63 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500382.67
LogP ≤ 53.87
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'halogenated_ring_1', 'substructure': 'N/A'}

Analyze [2-oxo-2-[[(2R)-pentan-2-yl]amino]ethyl] 2-(2,4,5-trichlorophenoxy)acetate 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

N-[(2S)-1-aminopropan-2-yl]-2-(2,4,5-trichlorophenoxy)acetamide;hydrochloride
CID 120509155
[2-oxo-2-[[(2S)-pentan-2-yl]amino]ethyl] 2-(4-chloro-2,6-dimethylphenoxy)acetate
CID 2576888
[2-[[(2S)-butan-2-yl]amino]-2-oxoethyl] 2-(2,4-dichlorophenoxy)acetate
CID 2621932
N-[(2R)-1-methoxypropan-2-yl]-2-(2,4,5-trichlorophenoxy)acetamide
CID 7832745
[2-(tert-butylamino)-2-oxoethyl] 2-(2,4,5-trichlorophenoxy)acetate
CID 8785732
[2-(ethylcarbamoylamino)-2-oxoethyl] 2-(2,4,5-trichlorophenoxy)acetate
CID 8785756
2-(5-bromo-2-chlorophenoxy)-N-pentan-2-ylacetamide
CID 60773244
2-methylbutyl 2-(2,4,5-trichlorophenoxy)acetate
CID 3024990
(2R)-2-[[2-(2,4,5-trichlorophenoxy)acetyl]amino]propanoic acid
CID 54991090
[2-oxo-2-[[(2S)-pentan-2-yl]amino]ethyl] 2-(2-benzylphenoxy)acetate
CID 7856156
[2-oxo-2-[[(2R)-pentan-2-yl]amino]ethyl] 2-(2-benzylphenoxy)acetate
CID 7856155
methyl (2S)-3-methyl-2-[[2-(2,4,5-trichlorophenoxy)acetyl]amino]butanoate
CID 22294441

Frequently Asked Questions

What is the IUPAC name of [2-oxo-2-[[(2R)-pentan-2-yl]amino]ethyl] 2-(2,4,5-trichlorophenoxy)acetate?
The IUPAC name of [2-oxo-2-[[(2R)-pentan-2-yl]amino]ethyl] 2-(2,4,5-trichlorophenoxy)acetate (CID 7999915) is [2-oxo-2-[[(2R)-pentan-2-yl]amino]ethyl] 2-(2,4,5-trichlorophenoxy)acetate.
What is the SMILES notation for [2-oxo-2-[[(2R)-pentan-2-yl]amino]ethyl] 2-(2,4,5-trichlorophenoxy)acetate?
The canonical SMILES for [2-oxo-2-[[(2R)-pentan-2-yl]amino]ethyl] 2-(2,4,5-trichlorophenoxy)acetate is CCC[C@@H](C)NC(=O)COC(=O)COc1cc(Cl)c(Cl)cc1Cl.
What is the InChIKey of [2-oxo-2-[[(2R)-pentan-2-yl]amino]ethyl] 2-(2,4,5-trichlorophenoxy)acetate?
The InChIKey is UAZJPCRCGYAXNO-SECBINFHSA-N. The full InChI is InChI=1S/C15H18Cl3NO4/c1-3-4-9(2)19-14(20)7-23-15(21)8-22-13-6-11(17)10(16)5-12(13)18/h5-6,9H,3-4,7-8H2,1-2H3,(H,19,20)/t9-/m1/s1.
What are the key properties of [2-oxo-2-[[(2R)-pentan-2-yl]amino]ethyl] 2-(2,4,5-trichlorophenoxy)acetate?
[2-oxo-2-[[(2R)-pentan-2-yl]amino]ethyl] 2-(2,4,5-trichlorophenoxy)acetate has a molecular weight of 382.67 g/mol, XLogP of 3.87, 8 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [2-oxo-2-[[(2R)-pentan-2-yl]amino]ethyl] 2-(2,4,5-trichlorophenoxy)acetate is sourced from PubChem (CID 7999915), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).