ethyl (3S)-3-amino-2-fluoro-3-(4-trimethylsilyloxyphenyl)propanoate;hydrochloride

C14H23ClFNO3Si — CID 171248851

IUPACethyl (3S)-3-amino-2-fluoro-3-(4-trimethylsilyloxyphenyl)propanoate;hydrochloride
SMILESCCOC(=O)C(F)[C@@H](N)c1ccc(O[Si](C)(C)C)cc1.Cl
InChIInChI=1S/C14H22FNO3Si.ClH/c1-5-18-14(17)12(15)13(16)10-6-8-11(9-7-10)19-20(2,3)4;/h6-9,12-13H,5,16H2,1-4H3;1H/t12?,13-;/m0./s1
InChIKeyPIBASMDLMUKZDV-ZEDZUCNESA-N
MW335.88 g/mol
LogP3.22
Rot. Bonds6

About ethyl (3S)-3-amino-2-fluoro-3-(4-trimethylsilyloxyphenyl)propanoate;hydrochloride

ethyl (3S)-3-amino-2-fluoro-3-(4-trimethylsilyloxyphenyl)propanoate;hydrochloride (PubChem CID 171248851) has the molecular formula C14H23ClFNO3Si and a molecular weight of 335.88 g/mol. Its IUPAC name is ethyl (3S)-3-amino-2-fluoro-3-(4-trimethylsilyloxyphenyl)propanoate;hydrochloride.

Molecular Properties

Compound Nameethyl (3S)-3-amino-2-fluoro-3-(4-trimethylsilyloxyphenyl)propanoate;hydrochloride
PubChem CID171248851
Molecular FormulaC14H23ClFNO3Si
Molecular Weight335.88 g/mol
Exact Mass335.11
IUPAC Nameethyl (3S)-3-amino-2-fluoro-3-(4-trimethylsilyloxyphenyl)propanoate;hydrochloride
SMILESCCOC(=O)C(F)[C@@H](N)c1ccc(O[Si](C)(C)C)cc1.Cl
InChIInChI=1S/C14H22FNO3Si.ClH/c1-5-18-14(17)12(15)13(16)10-6-8-11(9-7-10)19-20(2,3)4;/h6-9,12-13H,5,16H2,1-4H3;1H/t12?,13-;/m0./s1
InChIKeyPIBASMDLMUKZDV-ZEDZUCNESA-N
XLogP3.22
TPSA61.55 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500335.88
LogP ≤ 53.22
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'heavy_metal', 'substructure': 'N/A'}

Analyze ethyl (3S)-3-amino-2-fluoro-3-(4-trimethylsilyloxyphenyl)propanoate;hydrochloride 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 (3R)-3-amino-2-fluoro-3-(4-methoxyphenyl)propanoate;hydrochloride
CID 171239902
ethyl (3R)-3-amino-3-[4-(difluoromethoxy)phenyl]-2-fluoropropanoate;hydrochloride
CID 171241697
ethyl (3R)-3-amino-2-fluoro-3-[4-(trifluoromethoxy)phenyl]propanoate;hydrochloride
CID 171242242
ethyl (3S)-3-amino-2-fluoro-3-(4-methylsulfanylphenyl)propanoate;hydrochloride
CID 171250617
(1R,2S)-1-amino-1-(4-trimethylsilyloxyphenyl)butan-2-ol;hydrochloride
CID 171263199
ethyl (3S)-3-amino-2-fluoro-3-(4-phenylmethoxyphenyl)propanoate;hydrochloride
CID 171250179
ethyl (3R)-3-amino-3-[4-(diethylamino)phenyl]-2-fluoropropanoate;hydrochloride
CID 171242338
ethyl (3S)-3-amino-2-fluoro-3-(4-phenylphenyl)propanoate
CID 171249187
ethyl (3S)-3-amino-2-fluoro-3-[4-(trifluoromethyl)phenyl]propanoate
CID 171245908
(1S)-2,2-difluoro-1-(4-trimethylsilyloxyphenyl)ethanamine
CID 171248838
ethyl (3R)-3-amino-2-fluoro-3-(6-hydroxynaphthalen-2-yl)propanoate;hydrochloride
CID 171240201
ethyl (3S)-3-amino-3-(6-bromo-3-pyridinyl)-2-fluoropropanoate;hydrochloride
CID 171247483

Frequently Asked Questions

What is the IUPAC name of ethyl (3S)-3-amino-2-fluoro-3-(4-trimethylsilyloxyphenyl)propanoate;hydrochloride?
The IUPAC name of ethyl (3S)-3-amino-2-fluoro-3-(4-trimethylsilyloxyphenyl)propanoate;hydrochloride (CID 171248851) is ethyl (3S)-3-amino-2-fluoro-3-(4-trimethylsilyloxyphenyl)propanoate;hydrochloride.
What is the SMILES notation for ethyl (3S)-3-amino-2-fluoro-3-(4-trimethylsilyloxyphenyl)propanoate;hydrochloride?
The canonical SMILES for ethyl (3S)-3-amino-2-fluoro-3-(4-trimethylsilyloxyphenyl)propanoate;hydrochloride is CCOC(=O)C(F)[C@@H](N)c1ccc(O[Si](C)(C)C)cc1.Cl.
What is the InChIKey of ethyl (3S)-3-amino-2-fluoro-3-(4-trimethylsilyloxyphenyl)propanoate;hydrochloride?
The InChIKey is PIBASMDLMUKZDV-ZEDZUCNESA-N. The full InChI is InChI=1S/C14H22FNO3Si.ClH/c1-5-18-14(17)12(15)13(16)10-6-8-11(9-7-10)19-20(2,3)4;/h6-9,12-13H,5,16H2,1-4H3;1H/t12?,13-;/m0./s1.
What are the key properties of ethyl (3S)-3-amino-2-fluoro-3-(4-trimethylsilyloxyphenyl)propanoate;hydrochloride?
ethyl (3S)-3-amino-2-fluoro-3-(4-trimethylsilyloxyphenyl)propanoate;hydrochloride has a molecular weight of 335.88 g/mol, XLogP of 3.22, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl (3S)-3-amino-2-fluoro-3-(4-trimethylsilyloxyphenyl)propanoate;hydrochloride is sourced from PubChem (CID 171248851), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).