ethyl 4-[(2S)-2-[[2-(2-methoxyphenoxy)acetyl]amino]propanoyl]piperazine-1-carboxylate

C19H27N3O6 — CID 110348517

IUPACethyl 4-[(2S)-2-[[2-(2-methoxyphenoxy)acetyl]amino]propanoyl]piperazine-1-carboxylate
SMILESCCOC(=O)N1CCN(C(=O)[C@H](C)NC(=O)COc2ccccc2OC)CC1
InChIInChI=1S/C19H27N3O6/c1-4-27-19(25)22-11-9-21(10-12-22)18(24)14(2)20-17(23)13-28-16-8-6-5-7-15(16)26-3/h5-8,14H,4,9-13H2,1-3H3,(H,20,23)/t14-/m0/s1
InChIKeyLTJIOIDQKUPZJY-AWEZNQCLSA-N
MW393.44 g/mol
LogP0.88
Rot. Bonds7

About ethyl 4-[(2S)-2-[[2-(2-methoxyphenoxy)acetyl]amino]propanoyl]piperazine-1-carboxylate

ethyl 4-[(2S)-2-[[2-(2-methoxyphenoxy)acetyl]amino]propanoyl]piperazine-1-carboxylate (PubChem CID 110348517) has the molecular formula C19H27N3O6 and a molecular weight of 393.44 g/mol. Its IUPAC name is ethyl 4-[(2S)-2-[[2-(2-methoxyphenoxy)acetyl]amino]propanoyl]piperazine-1-carboxylate.

Molecular Properties

Compound Nameethyl 4-[(2S)-2-[[2-(2-methoxyphenoxy)acetyl]amino]propanoyl]piperazine-1-carboxylate
PubChem CID110348517
Molecular FormulaC19H27N3O6
Molecular Weight393.44 g/mol
Exact Mass393.19
IUPAC Nameethyl 4-[(2S)-2-[[2-(2-methoxyphenoxy)acetyl]amino]propanoyl]piperazine-1-carboxylate
SMILESCCOC(=O)N1CCN(C(=O)[C@H](C)NC(=O)COc2ccccc2OC)CC1
InChIInChI=1S/C19H27N3O6/c1-4-27-19(25)22-11-9-21(10-12-22)18(24)14(2)20-17(23)13-28-16-8-6-5-7-15(16)26-3/h5-8,14H,4,9-13H2,1-3H3,(H,20,23)/t14-/m0/s1
InChIKeyLTJIOIDQKUPZJY-AWEZNQCLSA-N
XLogP0.88
TPSA97.41 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500393.44
LogP ≤ 50.88
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Analyze ethyl 4-[(2S)-2-[[2-(2-methoxyphenoxy)acetyl]amino]propanoyl]piperazine-1-carboxylate with MolForge

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Related Compounds

2-(2-methoxyphenoxy)-N-[(2S)-1-oxo-1-pyrrolidin-1-ylpropan-2-yl]acetamide
CID 110347464
methyl (2R)-2-[[2-(2-methoxyphenoxy)acetyl]amino]propanoate
CID 113257879
ethyl 4-[(2S)-2-benzamidopropanoyl]piperazine-1-carboxylate
CID 2667430
(2S)-2-[[2-(2-methoxyphenoxy)acetyl]amino]propanoic acid
CID 746811
ethyl 4-[(2-methoxyphenoxy)methylcarbamoyl]piperazine-1-carboxylate
CID 108892364
(2S)-N-ethyl-2-[[2-(2-methoxyphenoxy)acetyl]amino]propanamide
CID 8750931
ethyl 4-[(2S)-2-[3-(4-methoxyphenyl)propanoylamino]propanoyl]piperazine-1-carboxylate
CID 110348526
2-(2-methoxyphenoxy)-N-pentan-2-ylacetamide
CID 2957379
N-[(2S)-1-(4-methylpiperazin-1-yl)-1-oxopropan-2-yl]-2-phenoxyacetamide
CID 2126358
ethyl 4-[(2R)-2-[(4,7-dimethoxy-1H-indole-2-carbonyl)amino]propanoyl]piperazine-1-carboxylate
CID 51703539
N-(1-oxo-1-pyrrolidin-1-ylpropan-2-yl)-2-phenoxyacetamide
CID 47101035
[1-[4-(2-ethoxyphenyl)piperazin-1-yl]-1-oxopropan-2-yl]urea
CID 3313073

Frequently Asked Questions

What is the IUPAC name of ethyl 4-[(2S)-2-[[2-(2-methoxyphenoxy)acetyl]amino]propanoyl]piperazine-1-carboxylate?
The IUPAC name of ethyl 4-[(2S)-2-[[2-(2-methoxyphenoxy)acetyl]amino]propanoyl]piperazine-1-carboxylate (CID 110348517) is ethyl 4-[(2S)-2-[[2-(2-methoxyphenoxy)acetyl]amino]propanoyl]piperazine-1-carboxylate.
What is the SMILES notation for ethyl 4-[(2S)-2-[[2-(2-methoxyphenoxy)acetyl]amino]propanoyl]piperazine-1-carboxylate?
The canonical SMILES for ethyl 4-[(2S)-2-[[2-(2-methoxyphenoxy)acetyl]amino]propanoyl]piperazine-1-carboxylate is CCOC(=O)N1CCN(C(=O)[C@H](C)NC(=O)COc2ccccc2OC)CC1.
What is the InChIKey of ethyl 4-[(2S)-2-[[2-(2-methoxyphenoxy)acetyl]amino]propanoyl]piperazine-1-carboxylate?
The InChIKey is LTJIOIDQKUPZJY-AWEZNQCLSA-N. The full InChI is InChI=1S/C19H27N3O6/c1-4-27-19(25)22-11-9-21(10-12-22)18(24)14(2)20-17(23)13-28-16-8-6-5-7-15(16)26-3/h5-8,14H,4,9-13H2,1-3H3,(H,20,23)/t14-/m0/s1.
What are the key properties of ethyl 4-[(2S)-2-[[2-(2-methoxyphenoxy)acetyl]amino]propanoyl]piperazine-1-carboxylate?
ethyl 4-[(2S)-2-[[2-(2-methoxyphenoxy)acetyl]amino]propanoyl]piperazine-1-carboxylate has a molecular weight of 393.44 g/mol, XLogP of 0.88, 7 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 4-[(2S)-2-[[2-(2-methoxyphenoxy)acetyl]amino]propanoyl]piperazine-1-carboxylate is sourced from PubChem (CID 110348517), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).