ethyl (3R)-3-amino-2-fluoro-3-(5-fluoro-2-methoxyphenyl)propanoate

C12H15F2NO3 — CID 171241430

IUPACethyl (3R)-3-amino-2-fluoro-3-(5-fluoro-2-methoxyphenyl)propanoate
SMILESCCOC(=O)C(F)[C@H](N)c1cc(F)ccc1OC
InChIInChI=1S/C12H15F2NO3/c1-3-18-12(16)10(14)11(15)8-6-7(13)4-5-9(8)17-2/h4-6,10-11H,3,15H2,1-2H3/t10?,11-/m1/s1
InChIKeyNQGPJJKXGYOARN-RRKGBCIJSA-N
MW259.25 g/mol
LogP1.74
Rot. Bonds5

About ethyl (3R)-3-amino-2-fluoro-3-(5-fluoro-2-methoxyphenyl)propanoate

ethyl (3R)-3-amino-2-fluoro-3-(5-fluoro-2-methoxyphenyl)propanoate (PubChem CID 171241430) has the molecular formula C12H15F2NO3 and a molecular weight of 259.25 g/mol. Its IUPAC name is ethyl (3R)-3-amino-2-fluoro-3-(5-fluoro-2-methoxyphenyl)propanoate.

Molecular Properties

Compound Nameethyl (3R)-3-amino-2-fluoro-3-(5-fluoro-2-methoxyphenyl)propanoate
PubChem CID171241430
Molecular FormulaC12H15F2NO3
Molecular Weight259.25 g/mol
Exact Mass259.10
IUPAC Nameethyl (3R)-3-amino-2-fluoro-3-(5-fluoro-2-methoxyphenyl)propanoate
SMILESCCOC(=O)C(F)[C@H](N)c1cc(F)ccc1OC
InChIInChI=1S/C12H15F2NO3/c1-3-18-12(16)10(14)11(15)8-6-7(13)4-5-9(8)17-2/h4-6,10-11H,3,15H2,1-2H3/t10?,11-/m1/s1
InChIKeyNQGPJJKXGYOARN-RRKGBCIJSA-N
XLogP1.74
TPSA61.55 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500259.25
LogP ≤ 51.74
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze ethyl (3R)-3-amino-2-fluoro-3-(5-fluoro-2-methoxyphenyl)propanoate 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 (3S)-3-amino-3-(2,5-dimethoxyphenyl)-2-fluoropropanoate
CID 171246365
ethyl (3R)-3-amino-3-(5-bromo-2-methoxyphenyl)-2-fluoropropanoate
CID 171240179
ethyl (3S)-3-amino-3-(5-chloro-2-methoxyphenyl)-2-fluoropropanoate
CID 171251378
ethyl (3S)-3-amino-2-fluoro-3-(2-methoxy-5-propan-2-ylphenyl)propanoate;hydrochloride
CID 171251861
ethyl (3R)-3-amino-2-fluoro-3-(2-hydroxy-3-methoxyphenyl)propanoate
CID 171243721
ethyl (3R)-3-amino-2-fluoro-3-[5-fluoro-2-(trifluoromethyl)phenyl]propanoate
CID 171242699
ethyl (3R)-3-amino-2-fluoro-3-[5-fluoro-2-(trifluoromethyl)phenyl]propanoate;hydrochloride
CID 171242700
4-amino-4-(5-fluoro-2-methoxyphenyl)butan-2-one
CID 116940506
2,3-diamino-3-(5-fluoro-2-methoxyphenyl)propanoic acid
CID 116942190
1-(5-fluoro-2-methoxyphenyl)butane-1,2-diamine
CID 165347841
(1R,2S)-1-amino-1-(5-fluoro-2-methoxyphenyl)pentan-2-ol;hydrochloride
CID 171262540
ethyl (3S)-3-amino-2-fluoro-3-(5-fluoro-2-nitrophenyl)propanoate
CID 171248359

Frequently Asked Questions

What is the IUPAC name of ethyl (3R)-3-amino-2-fluoro-3-(5-fluoro-2-methoxyphenyl)propanoate?
The IUPAC name of ethyl (3R)-3-amino-2-fluoro-3-(5-fluoro-2-methoxyphenyl)propanoate (CID 171241430) is ethyl (3R)-3-amino-2-fluoro-3-(5-fluoro-2-methoxyphenyl)propanoate.
What is the SMILES notation for ethyl (3R)-3-amino-2-fluoro-3-(5-fluoro-2-methoxyphenyl)propanoate?
The canonical SMILES for ethyl (3R)-3-amino-2-fluoro-3-(5-fluoro-2-methoxyphenyl)propanoate is CCOC(=O)C(F)[C@H](N)c1cc(F)ccc1OC.
What is the InChIKey of ethyl (3R)-3-amino-2-fluoro-3-(5-fluoro-2-methoxyphenyl)propanoate?
The InChIKey is NQGPJJKXGYOARN-RRKGBCIJSA-N. The full InChI is InChI=1S/C12H15F2NO3/c1-3-18-12(16)10(14)11(15)8-6-7(13)4-5-9(8)17-2/h4-6,10-11H,3,15H2,1-2H3/t10?,11-/m1/s1.
What are the key properties of ethyl (3R)-3-amino-2-fluoro-3-(5-fluoro-2-methoxyphenyl)propanoate?
ethyl (3R)-3-amino-2-fluoro-3-(5-fluoro-2-methoxyphenyl)propanoate has a molecular weight of 259.25 g/mol, XLogP of 1.74, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl (3R)-3-amino-2-fluoro-3-(5-fluoro-2-methoxyphenyl)propanoate is sourced from PubChem (CID 171241430), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).