[(2S,3S)-1-ethoxy-3-hydroxy-1-oxo-3-phenylpropan-2-yl]azanium

C11H16NO3+ — CID 7321538

IUPAC[(2S,3S)-1-ethoxy-3-hydroxy-1-oxo-3-phenylpropan-2-yl]azanium
SMILESCCOC(=O)[C@@H]([NH3+])[C@@H](O)c1ccccc1
InChIInChI=1S/C11H15NO3/c1-2-15-11(14)9(12)10(13)8-6-4-3-5-7-8/h3-7,9-10,13H,2,12H2,1H3/p+1/t9-,10-/m0/s1
InChIKeyRCUYHYDTFXMONZ-UWVGGRQHSA-O
MW210.25 g/mol
LogP-0.11
Rot. Bonds4

About [(2S,3S)-1-ethoxy-3-hydroxy-1-oxo-3-phenylpropan-2-yl]azanium

[(2S,3S)-1-ethoxy-3-hydroxy-1-oxo-3-phenylpropan-2-yl]azanium (PubChem CID 7321538) has the molecular formula C11H16NO3+ and a molecular weight of 210.25 g/mol. Its IUPAC name is [(2S,3S)-1-ethoxy-3-hydroxy-1-oxo-3-phenylpropan-2-yl]azanium.

Molecular Properties

Compound Name[(2S,3S)-1-ethoxy-3-hydroxy-1-oxo-3-phenylpropan-2-yl]azanium
PubChem CID7321538
Molecular FormulaC11H16NO3+
Molecular Weight210.25 g/mol
Exact Mass210.11
IUPAC Name[(2S,3S)-1-ethoxy-3-hydroxy-1-oxo-3-phenylpropan-2-yl]azanium
SMILESCCOC(=O)[C@@H]([NH3+])[C@@H](O)c1ccccc1
InChIInChI=1S/C11H15NO3/c1-2-15-11(14)9(12)10(13)8-6-4-3-5-7-8/h3-7,9-10,13H,2,12H2,1H3/p+1/t9-,10-/m0/s1
InChIKeyRCUYHYDTFXMONZ-UWVGGRQHSA-O
XLogP-0.11
TPSA74.17 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500210.25
LogP ≤ 5-0.11
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

ethyl (2R,3R)-3-hydroxy-2-methyl-3-phenylpropanoate
CID 10013279
ethyl (2R,3S)-2-amino-3-hydroxy-3-phenylpropanoate
CID 759476
ethyl (2S,3S)-2-amino-3-hydroxy-3-phenylpropanoate;hydrochloride
CID 166438818
ethyl (2S,3S)-2-fluoro-3-hydroxy-3-phenylpropanoate
CID 11333326
ethyl 2-amino-3-hydroxy-3-phenylpropanoate;hydrochloride
CID 12748096
ethyl 2-hydroxy-2-phenylacetate
CID 90673198
ethyl 2-[hydroxy(phenyl)methyl]octanoate
CID 101333316
ethyl 2-[hydroxy(phenyl)methyl]-4-methylpent-4-enoate
CID 134956272
ethyl (2R,3R,4R,5S)-3,5-dihydroxy-2,4-dimethyl-5-phenylpentanoate
CID 101157464
ethyl 2-hydroxy-2-phenylacetate;methane;dihydrochloride
CID 174768847
sodium;ethyl 2-hydroxy-2-phenylacetate;hydride
CID 175364908
ethyl (2S)-2-phenylpropanoate
CID 7204861

Frequently Asked Questions

What is the IUPAC name of [(2S,3S)-1-ethoxy-3-hydroxy-1-oxo-3-phenylpropan-2-yl]azanium?
The IUPAC name of [(2S,3S)-1-ethoxy-3-hydroxy-1-oxo-3-phenylpropan-2-yl]azanium (CID 7321538) is [(2S,3S)-1-ethoxy-3-hydroxy-1-oxo-3-phenylpropan-2-yl]azanium.
What is the SMILES notation for [(2S,3S)-1-ethoxy-3-hydroxy-1-oxo-3-phenylpropan-2-yl]azanium?
The canonical SMILES for [(2S,3S)-1-ethoxy-3-hydroxy-1-oxo-3-phenylpropan-2-yl]azanium is CCOC(=O)[C@@H]([NH3+])[C@@H](O)c1ccccc1.
What is the InChIKey of [(2S,3S)-1-ethoxy-3-hydroxy-1-oxo-3-phenylpropan-2-yl]azanium?
The InChIKey is RCUYHYDTFXMONZ-UWVGGRQHSA-O. The full InChI is InChI=1S/C11H15NO3/c1-2-15-11(14)9(12)10(13)8-6-4-3-5-7-8/h3-7,9-10,13H,2,12H2,1H3/p+1/t9-,10-/m0/s1.
What are the key properties of [(2S,3S)-1-ethoxy-3-hydroxy-1-oxo-3-phenylpropan-2-yl]azanium?
[(2S,3S)-1-ethoxy-3-hydroxy-1-oxo-3-phenylpropan-2-yl]azanium has a molecular weight of 210.25 g/mol, XLogP of -0.11, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [(2S,3S)-1-ethoxy-3-hydroxy-1-oxo-3-phenylpropan-2-yl]azanium is sourced from PubChem (CID 7321538), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).