ethyl 4-[[2-[(3S)-4-ethyl-2-oxomorpholin-3-yl]acetyl]amino]benzoate

C17H22N2O5 — CID 40566787

IUPACethyl 4-[[2-[(3S)-4-ethyl-2-oxomorpholin-3-yl]acetyl]amino]benzoate
SMILESCCOC(=O)c1ccc(NC(=O)C[C@H]2C(=O)OCCN2CC)cc1
InChIInChI=1S/C17H22N2O5/c1-3-19-9-10-24-17(22)14(19)11-15(20)18-13-7-5-12(6-8-13)16(21)23-4-2/h5-8,14H,3-4,9-11H2,1-2H3,(H,18,20)/t14-/m0/s1
InChIKeyOCYJRBVZHNYXBF-AWEZNQCLSA-N
MW334.37 g/mol
LogP1.44
Rot. Bonds6

About ethyl 4-[[2-[(3S)-4-ethyl-2-oxomorpholin-3-yl]acetyl]amino]benzoate

ethyl 4-[[2-[(3S)-4-ethyl-2-oxomorpholin-3-yl]acetyl]amino]benzoate (PubChem CID 40566787) has the molecular formula C17H22N2O5 and a molecular weight of 334.37 g/mol. Its IUPAC name is ethyl 4-[[2-[(3S)-4-ethyl-2-oxomorpholin-3-yl]acetyl]amino]benzoate.

Molecular Properties

Compound Nameethyl 4-[[2-[(3S)-4-ethyl-2-oxomorpholin-3-yl]acetyl]amino]benzoate
PubChem CID40566787
Molecular FormulaC17H22N2O5
Molecular Weight334.37 g/mol
Exact Mass334.15
IUPAC Nameethyl 4-[[2-[(3S)-4-ethyl-2-oxomorpholin-3-yl]acetyl]amino]benzoate
SMILESCCOC(=O)c1ccc(NC(=O)C[C@H]2C(=O)OCCN2CC)cc1
InChIInChI=1S/C17H22N2O5/c1-3-19-9-10-24-17(22)14(19)11-15(20)18-13-7-5-12(6-8-13)16(21)23-4-2/h5-8,14H,3-4,9-11H2,1-2H3,(H,18,20)/t14-/m0/s1
InChIKeyOCYJRBVZHNYXBF-AWEZNQCLSA-N
XLogP1.44
TPSA84.94 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500334.37
LogP ≤ 51.44
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Analyze ethyl 4-[[2-[(3S)-4-ethyl-2-oxomorpholin-3-yl]acetyl]amino]benzoate with MolForge

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Related Compounds

2-[(3S)-4-ethyl-2-oxomorpholin-3-yl]-N-[3-(trifluoromethyl)phenyl]acetamide
CID 41009155
2-(4-ethyl-2-oxomorpholin-3-yl)-N-(2-methylphenyl)acetamide
CID 44611957
ethyl 4-[[2-(2-oxo-1,3-oxazolidin-3-yl)acetyl]amino]benzoate
CID 110686650
ethyl 4-[[2-[(2S)-1-(ethylcarbamoyl)-3-oxopiperazin-2-yl]acetyl]amino]benzoate
CID 7126577
2-[(3R)-4-benzyl-2-oxomorpholin-3-yl]-N-(4-phenoxyphenyl)acetamide
CID 41281603
dimethyl 5-[[2-[(3R)-4-benzyl-2-oxomorpholin-3-yl]acetyl]amino]benzene-1,3-dicarboxylate
CID 41090664
ethyl 4-[[2-[(2R)-2-(2-methoxy-2-oxoethyl)-3-oxopiperazin-1-yl]acetyl]amino]benzoate
CID 8561303
ethyl 4-[4-[2-(4-methoxyanilino)-2-oxoethyl]-3-(2-morpholin-4-ylethyl)-5-oxoimidazolidin-1-yl]benzoate
CID 143048932
ethyl 4-[[2-(3-oxopiperazin-2-yl)acetyl]amino]benzoate
CID 2956537
ethyl 4-[[2-[(3S)-2,3-dihydro-1,4-benzodioxin-3-yl]acetyl]amino]benzoate
CID 975255
ethyl 4-[[2-(3-benzyl-1-ethyl-5-oxo-2-sulfanylideneimidazolidin-4-yl)acetyl]amino]benzoate
CID 4164457
ethyl 4-[[2-(cyclopropylamino)acetyl]amino]benzoate
CID 60647219

Frequently Asked Questions

What is the IUPAC name of ethyl 4-[[2-[(3S)-4-ethyl-2-oxomorpholin-3-yl]acetyl]amino]benzoate?
The IUPAC name of ethyl 4-[[2-[(3S)-4-ethyl-2-oxomorpholin-3-yl]acetyl]amino]benzoate (CID 40566787) is ethyl 4-[[2-[(3S)-4-ethyl-2-oxomorpholin-3-yl]acetyl]amino]benzoate.
What is the SMILES notation for ethyl 4-[[2-[(3S)-4-ethyl-2-oxomorpholin-3-yl]acetyl]amino]benzoate?
The canonical SMILES for ethyl 4-[[2-[(3S)-4-ethyl-2-oxomorpholin-3-yl]acetyl]amino]benzoate is CCOC(=O)c1ccc(NC(=O)C[C@H]2C(=O)OCCN2CC)cc1.
What is the InChIKey of ethyl 4-[[2-[(3S)-4-ethyl-2-oxomorpholin-3-yl]acetyl]amino]benzoate?
The InChIKey is OCYJRBVZHNYXBF-AWEZNQCLSA-N. The full InChI is InChI=1S/C17H22N2O5/c1-3-19-9-10-24-17(22)14(19)11-15(20)18-13-7-5-12(6-8-13)16(21)23-4-2/h5-8,14H,3-4,9-11H2,1-2H3,(H,18,20)/t14-/m0/s1.
What are the key properties of ethyl 4-[[2-[(3S)-4-ethyl-2-oxomorpholin-3-yl]acetyl]amino]benzoate?
ethyl 4-[[2-[(3S)-4-ethyl-2-oxomorpholin-3-yl]acetyl]amino]benzoate has a molecular weight of 334.37 g/mol, XLogP of 1.44, 6 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 4-[[2-[(3S)-4-ethyl-2-oxomorpholin-3-yl]acetyl]amino]benzoate is sourced from PubChem (CID 40566787), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).