[(2S)-2-(ethylamino)propyl] benzoate

C12H17NO2 — CID 90069288

IUPAC[(2S)-2-(ethylamino)propyl] benzoate
SMILESCCN[C@@H](C)COC(=O)c1ccccc1
InChIInChI=1S/C12H17NO2/c1-3-13-10(2)9-15-12(14)11-7-5-4-6-8-11/h4-8,10,13H,3,9H2,1-2H3/t10-/m0/s1
InChIKeyZSJLOYFXGBPDPI-JTQLQIEISA-N
MW207.27 g/mol
LogP1.84
Rot. Bonds5

About [(2S)-2-(ethylamino)propyl] benzoate

[(2S)-2-(ethylamino)propyl] benzoate (PubChem CID 90069288) has the molecular formula C12H17NO2 and a molecular weight of 207.27 g/mol. Its IUPAC name is [(2S)-2-(ethylamino)propyl] benzoate.

Molecular Properties

Compound Name[(2S)-2-(ethylamino)propyl] benzoate
PubChem CID90069288
Molecular FormulaC12H17NO2
Molecular Weight207.27 g/mol
Exact Mass207.13
IUPAC Name[(2S)-2-(ethylamino)propyl] benzoate
SMILESCCN[C@@H](C)COC(=O)c1ccccc1
InChIInChI=1S/C12H17NO2/c1-3-13-10(2)9-15-12(14)11-7-5-4-6-8-11/h4-8,10,13H,3,9H2,1-2H3/t10-/m0/s1
InChIKeyZSJLOYFXGBPDPI-JTQLQIEISA-N
XLogP1.84
TPSA38.33 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500207.27
LogP ≤ 51.84
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

4-(ethylamino)pentan-2-yl benzoate
CID 90020670
[4-(benzoyloxymethyl)-2,3-diethylhexyl] benzoate
CID 141064314
(3-benzoyloxy-2-methylpropyl) benzoate;ethane-1,2-diol
CID 70529802
[(2S)-2-benzoyloxypropyl] benzoate
CID 73416127
[(2R)-2-phenylpropyl] benzoate
CID 101021839
2-methylpropyl benzoate;2-methylpropyl 2-methylpropanoate
CID 174922501
1-benzoyloxypropan-2-yl(trimethyl)azanium
CID 24833435
(4-benzoyloxy-2,3-dihydroxybutyl) benzoate
CID 569984
(2-ethyl-4-methylpentyl) benzoate
CID 70180902
2-(2-ethoxypropoxy)propyl benzoate
CID 155435285
(3-fluoro-2-methylpentyl) benzoate
CID 90717890
(2-hydroxy-2-propan-2-yloxyethyl) benzoate
CID 162371835

Frequently Asked Questions

What is the IUPAC name of [(2S)-2-(ethylamino)propyl] benzoate?
The IUPAC name of [(2S)-2-(ethylamino)propyl] benzoate (CID 90069288) is [(2S)-2-(ethylamino)propyl] benzoate.
What is the SMILES notation for [(2S)-2-(ethylamino)propyl] benzoate?
The canonical SMILES for [(2S)-2-(ethylamino)propyl] benzoate is CCN[C@@H](C)COC(=O)c1ccccc1.
What is the InChIKey of [(2S)-2-(ethylamino)propyl] benzoate?
The InChIKey is ZSJLOYFXGBPDPI-JTQLQIEISA-N. The full InChI is InChI=1S/C12H17NO2/c1-3-13-10(2)9-15-12(14)11-7-5-4-6-8-11/h4-8,10,13H,3,9H2,1-2H3/t10-/m0/s1.
What are the key properties of [(2S)-2-(ethylamino)propyl] benzoate?
[(2S)-2-(ethylamino)propyl] benzoate has a molecular weight of 207.27 g/mol, XLogP of 1.84, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [(2S)-2-(ethylamino)propyl] benzoate is sourced from PubChem (CID 90069288), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).