ethyl 4-amino-2-hydroxy-4-phenylbutanoate

C12H17NO3 — CID 141301559

IUPACethyl 4-amino-2-hydroxy-4-phenylbutanoate
SMILESCCOC(=O)C(O)CC(N)c1ccccc1
InChIInChI=1S/C12H17NO3/c1-2-16-12(15)11(14)8-10(13)9-6-4-3-5-7-9/h3-7,10-11,14H,2,8,13H2,1H3
InChIKeyPAFNTVPHGLXELL-UHFFFAOYSA-N
MW223.27 g/mol
LogP1.00
Rot. Bonds5

About ethyl 4-amino-2-hydroxy-4-phenylbutanoate

ethyl 4-amino-2-hydroxy-4-phenylbutanoate (PubChem CID 141301559) has the molecular formula C12H17NO3 and a molecular weight of 223.27 g/mol. Its IUPAC name is ethyl 4-amino-2-hydroxy-4-phenylbutanoate.

Molecular Properties

Compound Nameethyl 4-amino-2-hydroxy-4-phenylbutanoate
PubChem CID141301559
Molecular FormulaC12H17NO3
Molecular Weight223.27 g/mol
Exact Mass223.12
IUPAC Nameethyl 4-amino-2-hydroxy-4-phenylbutanoate
SMILESCCOC(=O)C(O)CC(N)c1ccccc1
InChIInChI=1S/C12H17NO3/c1-2-16-12(15)11(14)8-10(13)9-6-4-3-5-7-9/h3-7,10-11,14H,2,8,13H2,1H3
InChIKeyPAFNTVPHGLXELL-UHFFFAOYSA-N
XLogP1.00
TPSA72.55 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500223.27
LogP ≤ 51.00
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

ethyl 2-hydroxy-4-phenyl-4-propan-2-yloxybutanoate
CID 132550748
ethyl 2-hydroxy-2-phenylacetate
CID 90673198
ethyl (2R)-2-amino-2-phenylacetate
CID 6922658
ethyl (2R,3S)-2-amino-3-hydroxy-3-phenylpropanoate
CID 759476
ethyl 2-amino-2-phenylacetate chloride
CID 3083657
ethyl 2-hydroxy-3-phenylpentanoate
CID 66289618
ethyl (2S,3S)-2-amino-3-hydroxy-3-phenylpropanoate;hydrochloride
CID 166438818
ethyl 2-amino-3-hydroxy-3-phenylpropanoate;hydrochloride
CID 12748096
3-ethoxy-3-oxo-2-phenylpropanoic acid;hydrochloride
CID 70417854
ethyl 2-hydroxy-2-phenylacetate;methane;dihydrochloride
CID 174768847
ethyl (2R,3R)-3-hydroxy-2-methyl-3-phenylpropanoate
CID 10013279
sodium;ethyl 2-hydroxy-2-phenylacetate;hydride
CID 175364908

Frequently Asked Questions

What is the IUPAC name of ethyl 4-amino-2-hydroxy-4-phenylbutanoate?
The IUPAC name of ethyl 4-amino-2-hydroxy-4-phenylbutanoate (CID 141301559) is ethyl 4-amino-2-hydroxy-4-phenylbutanoate.
What is the SMILES notation for ethyl 4-amino-2-hydroxy-4-phenylbutanoate?
The canonical SMILES for ethyl 4-amino-2-hydroxy-4-phenylbutanoate is CCOC(=O)C(O)CC(N)c1ccccc1.
What is the InChIKey of ethyl 4-amino-2-hydroxy-4-phenylbutanoate?
The InChIKey is PAFNTVPHGLXELL-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H17NO3/c1-2-16-12(15)11(14)8-10(13)9-6-4-3-5-7-9/h3-7,10-11,14H,2,8,13H2,1H3.
What are the key properties of ethyl 4-amino-2-hydroxy-4-phenylbutanoate?
ethyl 4-amino-2-hydroxy-4-phenylbutanoate has a molecular weight of 223.27 g/mol, XLogP of 1.00, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 4-amino-2-hydroxy-4-phenylbutanoate is sourced from PubChem (CID 141301559), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).