ethyl 3-[(2S)-2-hydroxy-3-[[(1R)-1-pyridin-2-ylethyl]amino]propoxy]benzoate

C19H24N2O4 — CID 31298486

IUPACethyl 3-[(2S)-2-hydroxy-3-[[(1R)-1-pyridin-2-ylethyl]amino]propoxy]benzoate
SMILESCCOC(=O)c1cccc(OC[C@@H](O)CN[C@H](C)c2ccccn2)c1
InChIInChI=1S/C19H24N2O4/c1-3-24-19(23)15-7-6-8-17(11-15)25-13-16(22)12-21-14(2)18-9-4-5-10-20-18/h4-11,14,16,21-22H,3,12-13H2,1-2H3/t14-,16+/m1/s1
InChIKeyUAZUVFSIZWRFOJ-ZBFHGGJFSA-N
MW344.41 g/mol
LogP2.35
Rot. Bonds9

About ethyl 3-[(2S)-2-hydroxy-3-[[(1R)-1-pyridin-2-ylethyl]amino]propoxy]benzoate

ethyl 3-[(2S)-2-hydroxy-3-[[(1R)-1-pyridin-2-ylethyl]amino]propoxy]benzoate (PubChem CID 31298486) has the molecular formula C19H24N2O4 and a molecular weight of 344.41 g/mol. Its IUPAC name is ethyl 3-[(2S)-2-hydroxy-3-[[(1R)-1-pyridin-2-ylethyl]amino]propoxy]benzoate.

Molecular Properties

Compound Nameethyl 3-[(2S)-2-hydroxy-3-[[(1R)-1-pyridin-2-ylethyl]amino]propoxy]benzoate
PubChem CID31298486
Molecular FormulaC19H24N2O4
Molecular Weight344.41 g/mol
Exact Mass344.17
IUPAC Nameethyl 3-[(2S)-2-hydroxy-3-[[(1R)-1-pyridin-2-ylethyl]amino]propoxy]benzoate
SMILESCCOC(=O)c1cccc(OC[C@@H](O)CN[C@H](C)c2ccccn2)c1
InChIInChI=1S/C19H24N2O4/c1-3-24-19(23)15-7-6-8-17(11-15)25-13-16(22)12-21-14(2)18-9-4-5-10-20-18/h4-11,14,16,21-22H,3,12-13H2,1-2H3/t14-,16+/m1/s1
InChIKeyUAZUVFSIZWRFOJ-ZBFHGGJFSA-N
XLogP2.35
TPSA80.68 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds9
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500344.41
LogP ≤ 52.35
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Analyze ethyl 3-[(2S)-2-hydroxy-3-[[(1R)-1-pyridin-2-ylethyl]amino]propoxy]benzoate with MolForge

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Related Compounds

1-(3-methylphenoxy)-3-[[(1R)-1-pyridin-2-ylethyl]amino]propan-2-ol
CID 81392297
1-phenoxy-3-[[(1S)-1-pyridin-2-ylethyl]amino]propan-2-ol
CID 81402245
1-(4-fluorophenoxy)-3-[[(1R)-1-pyridin-2-ylethyl]amino]propan-2-ol
CID 81391897
1-[[(1S)-1-pyridin-2-ylethyl]amino]butan-2-ol
CID 81401299
1-[(2-methylpropan-2-yl)oxy]-3-[[(1R)-1-pyridin-2-ylethyl]amino]propan-2-ol
CID 81407338
ethyl 3-[3-(4-ethylpiperazin-1-yl)-2-hydroxypropoxy]benzoate
CID 86977623
ethyl 2-[[(1S)-1-pyridin-2-ylethyl]amino]acetate
CID 81401759
ethyl 4-(1-pyridin-2-ylethylsulfamoyl)benzoate
CID 4878822
ethyl 3-(2-hydroxy-3-morpholin-4-ylpropoxy)benzoate
CID 17393188
ethyl 3-[[(1S)-1-pyridin-2-ylethyl]amino]propanoate
CID 81401378
1-(2-propan-2-yloxyethoxy)-3-[[(1S)-1-pyridin-2-ylethyl]amino]propan-2-ol
CID 81401996
1-(1-pyridin-2-ylethylamino)propan-2-ol
CID 43499405

Frequently Asked Questions

What is the IUPAC name of ethyl 3-[(2S)-2-hydroxy-3-[[(1R)-1-pyridin-2-ylethyl]amino]propoxy]benzoate?
The IUPAC name of ethyl 3-[(2S)-2-hydroxy-3-[[(1R)-1-pyridin-2-ylethyl]amino]propoxy]benzoate (CID 31298486) is ethyl 3-[(2S)-2-hydroxy-3-[[(1R)-1-pyridin-2-ylethyl]amino]propoxy]benzoate.
What is the SMILES notation for ethyl 3-[(2S)-2-hydroxy-3-[[(1R)-1-pyridin-2-ylethyl]amino]propoxy]benzoate?
The canonical SMILES for ethyl 3-[(2S)-2-hydroxy-3-[[(1R)-1-pyridin-2-ylethyl]amino]propoxy]benzoate is CCOC(=O)c1cccc(OC[C@@H](O)CN[C@H](C)c2ccccn2)c1.
What is the InChIKey of ethyl 3-[(2S)-2-hydroxy-3-[[(1R)-1-pyridin-2-ylethyl]amino]propoxy]benzoate?
The InChIKey is UAZUVFSIZWRFOJ-ZBFHGGJFSA-N. The full InChI is InChI=1S/C19H24N2O4/c1-3-24-19(23)15-7-6-8-17(11-15)25-13-16(22)12-21-14(2)18-9-4-5-10-20-18/h4-11,14,16,21-22H,3,12-13H2,1-2H3/t14-,16+/m1/s1.
What are the key properties of ethyl 3-[(2S)-2-hydroxy-3-[[(1R)-1-pyridin-2-ylethyl]amino]propoxy]benzoate?
ethyl 3-[(2S)-2-hydroxy-3-[[(1R)-1-pyridin-2-ylethyl]amino]propoxy]benzoate has a molecular weight of 344.41 g/mol, XLogP of 2.35, 9 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 3-[(2S)-2-hydroxy-3-[[(1R)-1-pyridin-2-ylethyl]amino]propoxy]benzoate is sourced from PubChem (CID 31298486), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).