methyl (3R)-3-amino-3-[3-(trifluoromethyl)phenyl]propanoate

C11H12F3NO2 — CID 29059445

IUPACmethyl (3R)-3-amino-3-[3-(trifluoromethyl)phenyl]propanoate
SMILESCOC(=O)C[C@@H](N)c1cccc(C(F)(F)F)c1
InChIInChI=1S/C11H12F3NO2/c1-17-10(16)6-9(15)7-3-2-4-8(5-7)11(12,13)14/h2-5,9H,6,15H2,1H3/t9-/m1/s1
InChIKeyUXOKNDFGYDXGGN-SECBINFHSA-N
MW247.22 g/mol
LogP2.27
Rot. Bonds3

About methyl (3R)-3-amino-3-[3-(trifluoromethyl)phenyl]propanoate

methyl (3R)-3-amino-3-[3-(trifluoromethyl)phenyl]propanoate (PubChem CID 29059445) has the molecular formula C11H12F3NO2 and a molecular weight of 247.22 g/mol. Its IUPAC name is methyl (3R)-3-amino-3-[3-(trifluoromethyl)phenyl]propanoate.

Molecular Properties

Compound Namemethyl (3R)-3-amino-3-[3-(trifluoromethyl)phenyl]propanoate
PubChem CID29059445
Molecular FormulaC11H12F3NO2
Molecular Weight247.22 g/mol
Exact Mass247.08
IUPAC Namemethyl (3R)-3-amino-3-[3-(trifluoromethyl)phenyl]propanoate
SMILESCOC(=O)C[C@@H](N)c1cccc(C(F)(F)F)c1
InChIInChI=1S/C11H12F3NO2/c1-17-10(16)6-9(15)7-3-2-4-8(5-7)11(12,13)14/h2-5,9H,6,15H2,1H3/t9-/m1/s1
InChIKeyUXOKNDFGYDXGGN-SECBINFHSA-N
XLogP2.27
TPSA52.32 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500247.22
LogP ≤ 52.27
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze methyl (3R)-3-amino-3-[3-(trifluoromethyl)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

methyl (3R)-3-amino-3-[3,5-bis(trifluoromethyl)phenyl]propanoate;hydrochloride
CID 171245726
methyl 4-amino-3-[3-(trifluoromethyl)phenyl]hexanoate
CID 66096264
(3S)-3-amino-N-(2-methoxyethyl)-3-[3-(trifluoromethyl)phenyl]propanamide;methane
CID 160866666
methyl (3S)-3-amino-3-(3-fluorophenyl)propanoate
CID 7277827
methyl (3S)-3-amino-3-[3-(trifluoromethoxy)phenyl]propanoate;hydrochloride
CID 171243091
methyl (3S)-3-amino-3-[3-bromo-5-(trifluoromethyl)phenyl]propanoate;hydrochloride
CID 171242048
(1R)-3-methyl-1-[3-(trifluoromethyl)phenyl]but-3-en-1-amine
CID 171206817
ethane;methyl 3-amino-3-(3-methylphenyl)propanoate
CID 143672007
3-amino-3-phenyl-N-[1-[3-(trifluoromethyl)phenyl]ethyl]propanamide;hydrochloride
CID 119948966
3-amino-N-ethoxy-N-ethyl-3-[3-(trifluoromethyl)phenyl]propanamide
CID 174935648
methyl (3R)-3-amino-3-[2-fluoro-5-(trifluoromethyl)phenyl]propanoate
CID 171249573
methyl (3S)-3-amino-3-[2-hydroxy-5-(trifluoromethyl)phenyl]propanoate
CID 171254727

Frequently Asked Questions

What is the IUPAC name of methyl (3R)-3-amino-3-[3-(trifluoromethyl)phenyl]propanoate?
The IUPAC name of methyl (3R)-3-amino-3-[3-(trifluoromethyl)phenyl]propanoate (CID 29059445) is methyl (3R)-3-amino-3-[3-(trifluoromethyl)phenyl]propanoate.
What is the SMILES notation for methyl (3R)-3-amino-3-[3-(trifluoromethyl)phenyl]propanoate?
The canonical SMILES for methyl (3R)-3-amino-3-[3-(trifluoromethyl)phenyl]propanoate is COC(=O)C[C@@H](N)c1cccc(C(F)(F)F)c1.
What is the InChIKey of methyl (3R)-3-amino-3-[3-(trifluoromethyl)phenyl]propanoate?
The InChIKey is UXOKNDFGYDXGGN-SECBINFHSA-N. The full InChI is InChI=1S/C11H12F3NO2/c1-17-10(16)6-9(15)7-3-2-4-8(5-7)11(12,13)14/h2-5,9H,6,15H2,1H3/t9-/m1/s1.
What are the key properties of methyl (3R)-3-amino-3-[3-(trifluoromethyl)phenyl]propanoate?
methyl (3R)-3-amino-3-[3-(trifluoromethyl)phenyl]propanoate has a molecular weight of 247.22 g/mol, XLogP of 2.27, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for methyl (3R)-3-amino-3-[3-(trifluoromethyl)phenyl]propanoate is sourced from PubChem (CID 29059445), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).