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

C12H17NO2 — CID 142202479

IUPACethyl (2R,3S)-3-amino-2-methyl-3-phenylpropanoate
SMILESCCOC(=O)[C@H](C)[C@H](N)c1ccccc1
InChIInChI=1S/C12H17NO2/c1-3-15-12(14)9(2)11(13)10-7-5-4-6-8-10/h4-9,11H,3,13H2,1-2H3/t9-,11+/m1/s1
InChIKeyDTOXVLGVQNYHEI-KOLCDFICSA-N
MW207.27 g/mol
LogP1.89
Rot. Bonds4

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

ethyl (2R,3S)-3-amino-2-methyl-3-phenylpropanoate (PubChem CID 142202479) has the molecular formula C12H17NO2 and a molecular weight of 207.27 g/mol. Its IUPAC name is ethyl (2R,3S)-3-amino-2-methyl-3-phenylpropanoate.

Molecular Properties

Compound Nameethyl (2R,3S)-3-amino-2-methyl-3-phenylpropanoate
PubChem CID142202479
Molecular FormulaC12H17NO2
Molecular Weight207.27 g/mol
Exact Mass207.13
IUPAC Nameethyl (2R,3S)-3-amino-2-methyl-3-phenylpropanoate
SMILESCCOC(=O)[C@H](C)[C@H](N)c1ccccc1
InChIInChI=1S/C12H17NO2/c1-3-15-12(14)9(2)11(13)10-7-5-4-6-8-10/h4-9,11H,3,13H2,1-2H3/t9-,11+/m1/s1
InChIKeyDTOXVLGVQNYHEI-KOLCDFICSA-N
XLogP1.89
TPSA52.32 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500207.27
LogP ≤ 51.89
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze ethyl (2R,3S)-3-amino-2-methyl-3-phenylpropanoate with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

ethyl (2R,3R)-3-hydroxy-2-methyl-3-phenylpropanoate
CID 10013279
ethyl (2S)-2-phenylpropanoate
CID 7204861
ethyl (2R)-2-amino-2-phenylacetate
CID 6922658
ethyl 2-amino-2-phenylacetate chloride
CID 3083657
ethyl (2R,3S)-2-fluoro-3-phenylbutanoate
CID 102075314
ethyl (2R,3R)-2-fluoro-3-phenylbutanoate
CID 102075316
ethyl (2R,3R,4R,5S)-3,5-dihydroxy-2,4-dimethyl-5-phenylpentanoate
CID 101157464
ethyl (2S,3S)-3-acetamido-2-methyl-3-phenylpropanoate
CID 70863317
ethyl 2-hydroxy-2-phenylacetate
CID 90673198
ethyl (2R,3S)-2-amino-3-hydroxy-3-phenylpropanoate
CID 759476
ethyl 2-amino-3-hydroxy-4-phenylpentanoate
CID 66205533
ethyl (2S)-2-[(1S)-2-ethoxy-2-oxo-1-phenylethoxy]-2-phenylacetate
CID 129391195

Frequently Asked Questions

What is the IUPAC name of ethyl (2R,3S)-3-amino-2-methyl-3-phenylpropanoate?
The IUPAC name of ethyl (2R,3S)-3-amino-2-methyl-3-phenylpropanoate (CID 142202479) is ethyl (2R,3S)-3-amino-2-methyl-3-phenylpropanoate.
What is the SMILES notation for ethyl (2R,3S)-3-amino-2-methyl-3-phenylpropanoate?
The canonical SMILES for ethyl (2R,3S)-3-amino-2-methyl-3-phenylpropanoate is CCOC(=O)[C@H](C)[C@H](N)c1ccccc1.
What is the InChIKey of ethyl (2R,3S)-3-amino-2-methyl-3-phenylpropanoate?
The InChIKey is DTOXVLGVQNYHEI-KOLCDFICSA-N. The full InChI is InChI=1S/C12H17NO2/c1-3-15-12(14)9(2)11(13)10-7-5-4-6-8-10/h4-9,11H,3,13H2,1-2H3/t9-,11+/m1/s1.
What are the key properties of ethyl (2R,3S)-3-amino-2-methyl-3-phenylpropanoate?
ethyl (2R,3S)-3-amino-2-methyl-3-phenylpropanoate has a molecular weight of 207.27 g/mol, XLogP of 1.89, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl (2R,3S)-3-amino-2-methyl-3-phenylpropanoate is sourced from PubChem (CID 142202479), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).