ethyl (2R,3S)-2-amino-3-hydroxy-3-phenylpropanoate

C11H15NO3 — CID 759476

IUPACethyl (2R,3S)-2-amino-3-hydroxy-3-phenylpropanoate
SMILESCCOC(=O)[C@H](N)[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/t9-,10+/m1/s1
InChIKeyRCUYHYDTFXMONZ-ZJUUUORDSA-N
MW209.24 g/mol
LogP0.61
Rot. Bonds4

About ethyl (2R,3S)-2-amino-3-hydroxy-3-phenylpropanoate

ethyl (2R,3S)-2-amino-3-hydroxy-3-phenylpropanoate (PubChem CID 759476) has the molecular formula C11H15NO3 and a molecular weight of 209.24 g/mol. Its IUPAC name is ethyl (2R,3S)-2-amino-3-hydroxy-3-phenylpropanoate.

Molecular Properties

Compound Nameethyl (2R,3S)-2-amino-3-hydroxy-3-phenylpropanoate
PubChem CID759476
Molecular FormulaC11H15NO3
Molecular Weight209.24 g/mol
Exact Mass209.11
IUPAC Nameethyl (2R,3S)-2-amino-3-hydroxy-3-phenylpropanoate
SMILESCCOC(=O)[C@H](N)[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/t9-,10+/m1/s1
InChIKeyRCUYHYDTFXMONZ-ZJUUUORDSA-N
XLogP0.61
TPSA72.55 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500209.24
LogP ≤ 50.61
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

ethyl (2S,3S)-2-amino-3-hydroxy-3-phenylpropanoate;hydrochloride
CID 166438818
ethyl 2-amino-3-hydroxy-3-phenylpropanoate;hydrochloride
CID 12748096
ethyl (2R,3R)-3-hydroxy-2-methyl-3-phenylpropanoate
CID 10013279
ethyl 2-amino-3-hydroxy-4-phenylpentanoate
CID 66205533
ethyl (2S,3S)-2-fluoro-3-hydroxy-3-phenylpropanoate
CID 11333326
[(2S,3S)-1-ethoxy-3-hydroxy-1-oxo-3-phenylpropan-2-yl]azanium
CID 7321538
ethyl 2-amino-3-chloro-3-phenylpropanoate
CID 14423202
ethyl (2R)-2-amino-3-chloro-3-phenylpropanoate
CID 54155299
ethyl (2R)-2-amino-2-phenylacetate
CID 6922658
ethyl 2-hydroxy-2-phenylacetate
CID 90673198
ethyl [(1R,2R)-2-hydroxy-1,2-diphenylethyl] carbonate
CID 23243327
ethyl 2-amino-2-phenylacetate chloride
CID 3083657

Frequently Asked Questions

What is the IUPAC name of ethyl (2R,3S)-2-amino-3-hydroxy-3-phenylpropanoate?
The IUPAC name of ethyl (2R,3S)-2-amino-3-hydroxy-3-phenylpropanoate (CID 759476) is ethyl (2R,3S)-2-amino-3-hydroxy-3-phenylpropanoate.
What is the SMILES notation for ethyl (2R,3S)-2-amino-3-hydroxy-3-phenylpropanoate?
The canonical SMILES for ethyl (2R,3S)-2-amino-3-hydroxy-3-phenylpropanoate is CCOC(=O)[C@H](N)[C@@H](O)c1ccccc1.
What is the InChIKey of ethyl (2R,3S)-2-amino-3-hydroxy-3-phenylpropanoate?
The InChIKey is RCUYHYDTFXMONZ-ZJUUUORDSA-N. 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/t9-,10+/m1/s1.
What are the key properties of ethyl (2R,3S)-2-amino-3-hydroxy-3-phenylpropanoate?
ethyl (2R,3S)-2-amino-3-hydroxy-3-phenylpropanoate has a molecular weight of 209.24 g/mol, XLogP of 0.61, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl (2R,3S)-2-amino-3-hydroxy-3-phenylpropanoate is sourced from PubChem (CID 759476), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).