ethyl (3R)-3-amino-3-[3-(difluoromethoxy)phenyl]propanoate

C12H15F2NO3 — CID 171206155

IUPACethyl (3R)-3-amino-3-[3-(difluoromethoxy)phenyl]propanoate
SMILESCCOC(=O)C[C@@H](N)c1cccc(OC(F)F)c1
InChIInChI=1S/C12H15F2NO3/c1-2-17-11(16)7-10(15)8-4-3-5-9(6-8)18-12(13)14/h3-6,10,12H,2,7,15H2,1H3/t10-/m1/s1
InChIKeyKRLAFDKNSDURJT-SNVBAGLBSA-N
MW259.25 g/mol
LogP2.24
Rot. Bonds6

About ethyl (3R)-3-amino-3-[3-(difluoromethoxy)phenyl]propanoate

ethyl (3R)-3-amino-3-[3-(difluoromethoxy)phenyl]propanoate (PubChem CID 171206155) has the molecular formula C12H15F2NO3 and a molecular weight of 259.25 g/mol. Its IUPAC name is ethyl (3R)-3-amino-3-[3-(difluoromethoxy)phenyl]propanoate.

Molecular Properties

Compound Nameethyl (3R)-3-amino-3-[3-(difluoromethoxy)phenyl]propanoate
PubChem CID171206155
Molecular FormulaC12H15F2NO3
Molecular Weight259.25 g/mol
Exact Mass259.10
IUPAC Nameethyl (3R)-3-amino-3-[3-(difluoromethoxy)phenyl]propanoate
SMILESCCOC(=O)C[C@@H](N)c1cccc(OC(F)F)c1
InChIInChI=1S/C12H15F2NO3/c1-2-17-11(16)7-10(15)8-4-3-5-9(6-8)18-12(13)14/h3-6,10,12H,2,7,15H2,1H3/t10-/m1/s1
InChIKeyKRLAFDKNSDURJT-SNVBAGLBSA-N
XLogP2.24
TPSA61.55 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500259.25
LogP ≤ 52.24
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze ethyl (3R)-3-amino-3-[3-(difluoromethoxy)phenyl]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-[3-(trifluoromethoxy)phenyl]propanoate;hydrochloride
CID 171229816
ethyl 3-amino-3-[4-(difluoromethoxy)phenyl]propanoate
CID 43147898
ethyl 2-[3-(difluoromethoxy)phenyl]-2-hydroxyacetate
CID 117367197
ethyl (3R)-3-amino-3-(3-hydroxyphenyl)propanoate
CID 686204
ethyl (3S)-3-amino-3-[3-[[2-(difluoromethoxy)phenyl]methyl]phenyl]propanoate
CID 140935955
ethyl (3S)-3-amino-3-(3-chlorophenyl)propanoate
CID 7047015
ethyl (3S)-3-amino-3-(3-phenylphenyl)propanoate
CID 140935655
ethyl 3-amino-3-(3-bromophenyl)propanoate;hydrochloride
CID 130177192
ethyl 2-[3-(difluoromethoxy)phenyl]sulfanylacetate
CID 166669650
methyl (3R)-3-amino-3-(3-ethoxyphenyl)propanoate;hydrochloride
CID 171248203
1-[3-(difluoromethoxy)phenyl]-2-methoxyethanamine
CID 112684585
3-amino-3-[3-(difluoromethoxy)phenyl]propan-1-ol
CID 170874621

Frequently Asked Questions

What is the IUPAC name of ethyl (3R)-3-amino-3-[3-(difluoromethoxy)phenyl]propanoate?
The IUPAC name of ethyl (3R)-3-amino-3-[3-(difluoromethoxy)phenyl]propanoate (CID 171206155) is ethyl (3R)-3-amino-3-[3-(difluoromethoxy)phenyl]propanoate.
What is the SMILES notation for ethyl (3R)-3-amino-3-[3-(difluoromethoxy)phenyl]propanoate?
The canonical SMILES for ethyl (3R)-3-amino-3-[3-(difluoromethoxy)phenyl]propanoate is CCOC(=O)C[C@@H](N)c1cccc(OC(F)F)c1.
What is the InChIKey of ethyl (3R)-3-amino-3-[3-(difluoromethoxy)phenyl]propanoate?
The InChIKey is KRLAFDKNSDURJT-SNVBAGLBSA-N. The full InChI is InChI=1S/C12H15F2NO3/c1-2-17-11(16)7-10(15)8-4-3-5-9(6-8)18-12(13)14/h3-6,10,12H,2,7,15H2,1H3/t10-/m1/s1.
What are the key properties of ethyl (3R)-3-amino-3-[3-(difluoromethoxy)phenyl]propanoate?
ethyl (3R)-3-amino-3-[3-(difluoromethoxy)phenyl]propanoate has a molecular weight of 259.25 g/mol, XLogP of 2.24, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl (3R)-3-amino-3-[3-(difluoromethoxy)phenyl]propanoate is sourced from PubChem (CID 171206155), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).