[(2S)-1-(2-methoxyethylamino)-1-oxopropan-2-yl] (2S)-2-(3-methylphenoxy)propanoate

C16H23NO5 — CID 8737835

IUPAC[(2S)-1-(2-methoxyethylamino)-1-oxopropan-2-yl] (2S)-2-(3-methylphenoxy)propanoate
SMILESCOCCNC(=O)[C@H](C)OC(=O)[C@H](C)Oc1cccc(C)c1
InChIInChI=1S/C16H23NO5/c1-11-6-5-7-14(10-11)21-13(3)16(19)22-12(2)15(18)17-8-9-20-4/h5-7,10,12-13H,8-9H2,1-4H3,(H,17,18)/t12-,13-/m0/s1
InChIKeyZPGYJPUXCKCDLB-STQMWFEESA-N
MW309.36 g/mol
LogP1.46
Rot. Bonds8

About [(2S)-1-(2-methoxyethylamino)-1-oxopropan-2-yl] (2S)-2-(3-methylphenoxy)propanoate

[(2S)-1-(2-methoxyethylamino)-1-oxopropan-2-yl] (2S)-2-(3-methylphenoxy)propanoate (PubChem CID 8737835) has the molecular formula C16H23NO5 and a molecular weight of 309.36 g/mol. Its IUPAC name is [(2S)-1-(2-methoxyethylamino)-1-oxopropan-2-yl] (2S)-2-(3-methylphenoxy)propanoate.

Molecular Properties

Compound Name[(2S)-1-(2-methoxyethylamino)-1-oxopropan-2-yl] (2S)-2-(3-methylphenoxy)propanoate
PubChem CID8737835
Molecular FormulaC16H23NO5
Molecular Weight309.36 g/mol
Exact Mass309.16
IUPAC Name[(2S)-1-(2-methoxyethylamino)-1-oxopropan-2-yl] (2S)-2-(3-methylphenoxy)propanoate
SMILESCOCCNC(=O)[C@H](C)OC(=O)[C@H](C)Oc1cccc(C)c1
InChIInChI=1S/C16H23NO5/c1-11-6-5-7-14(10-11)21-13(3)16(19)22-12(2)15(18)17-8-9-20-4/h5-7,10,12-13H,8-9H2,1-4H3,(H,17,18)/t12-,13-/m0/s1
InChIKeyZPGYJPUXCKCDLB-STQMWFEESA-N
XLogP1.46
TPSA73.86 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500309.36
LogP ≤ 51.46
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

[(2R)-1-(2-methoxyethylamino)-1-oxopropan-2-yl] (2R)-2-(3-methylphenoxy)propanoate
CID 8737838
[(2S)-1-[(4-methylphenyl)methylamino]-1-oxopropan-2-yl] (2S)-2-(3-methylphenoxy)propanoate
CID 8737930
[(2R)-1-(2,6-dimethylanilino)-1-oxopropan-2-yl] (2R)-2-(3-methylphenoxy)propanoate
CID 8737918
N-(2-methoxyethyl)-3-[2-(3-methylphenoxy)propanoylamino]benzamide
CID 17218985
(2S)-N-(2-methoxyethyl)-2-phenoxypropanamide
CID 2162450
(2R)-N-[2-(2-methoxyphenoxy)ethyl]-2-(3-methylphenoxy)propanamide
CID 38451380
2-(3-fluorophenoxy)-N-(2-methoxyethyl)propanamide
CID 60675242
[(2R)-1-(2,6-difluoroanilino)-1-oxopropan-2-yl] (2R)-2-(3-methylphenoxy)propanoate
CID 8737888
2-(3-methylphenoxy)-N-[2-(2-methylprop-2-enoxy)ethyl]propanamide
CID 115700160
[(2R)-1-(4-ethoxyanilino)-1-oxopropan-2-yl] (2S)-2-(3-methylphenoxy)propanoate
CID 8737849
(2R)-N-[2-(4-fluorophenoxy)ethyl]-2-(3-methylphenoxy)propanamide
CID 37363339
N-(2-amino-2-methylpropyl)-2-(3-methylphenoxy)propanamide
CID 119625770

Frequently Asked Questions

What is the IUPAC name of [(2S)-1-(2-methoxyethylamino)-1-oxopropan-2-yl] (2S)-2-(3-methylphenoxy)propanoate?
The IUPAC name of [(2S)-1-(2-methoxyethylamino)-1-oxopropan-2-yl] (2S)-2-(3-methylphenoxy)propanoate (CID 8737835) is [(2S)-1-(2-methoxyethylamino)-1-oxopropan-2-yl] (2S)-2-(3-methylphenoxy)propanoate.
What is the SMILES notation for [(2S)-1-(2-methoxyethylamino)-1-oxopropan-2-yl] (2S)-2-(3-methylphenoxy)propanoate?
The canonical SMILES for [(2S)-1-(2-methoxyethylamino)-1-oxopropan-2-yl] (2S)-2-(3-methylphenoxy)propanoate is COCCNC(=O)[C@H](C)OC(=O)[C@H](C)Oc1cccc(C)c1.
What is the InChIKey of [(2S)-1-(2-methoxyethylamino)-1-oxopropan-2-yl] (2S)-2-(3-methylphenoxy)propanoate?
The InChIKey is ZPGYJPUXCKCDLB-STQMWFEESA-N. The full InChI is InChI=1S/C16H23NO5/c1-11-6-5-7-14(10-11)21-13(3)16(19)22-12(2)15(18)17-8-9-20-4/h5-7,10,12-13H,8-9H2,1-4H3,(H,17,18)/t12-,13-/m0/s1.
What are the key properties of [(2S)-1-(2-methoxyethylamino)-1-oxopropan-2-yl] (2S)-2-(3-methylphenoxy)propanoate?
[(2S)-1-(2-methoxyethylamino)-1-oxopropan-2-yl] (2S)-2-(3-methylphenoxy)propanoate has a molecular weight of 309.36 g/mol, XLogP of 1.46, 8 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [(2S)-1-(2-methoxyethylamino)-1-oxopropan-2-yl] (2S)-2-(3-methylphenoxy)propanoate is sourced from PubChem (CID 8737835), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).