methyl (3R)-3-amino-3-(6-chloro-2-fluoro-3-methylphenyl)propanoate

C11H13ClFNO2 — CID 171249430

IUPACmethyl (3R)-3-amino-3-(6-chloro-2-fluoro-3-methylphenyl)propanoate
SMILESCOC(=O)C[C@@H](N)c1c(Cl)ccc(C)c1F
InChIInChI=1S/C11H13ClFNO2/c1-6-3-4-7(12)10(11(6)13)8(14)5-9(15)16-2/h3-4,8H,5,14H2,1-2H3/t8-/m1/s1
InChIKeyMVDSUHAYARFEFF-MRVPVSSYSA-N
MW245.68 g/mol
LogP2.35
Rot. Bonds3

About methyl (3R)-3-amino-3-(6-chloro-2-fluoro-3-methylphenyl)propanoate

methyl (3R)-3-amino-3-(6-chloro-2-fluoro-3-methylphenyl)propanoate (PubChem CID 171249430) has the molecular formula C11H13ClFNO2 and a molecular weight of 245.68 g/mol. Its IUPAC name is methyl (3R)-3-amino-3-(6-chloro-2-fluoro-3-methylphenyl)propanoate.

Molecular Properties

Compound Namemethyl (3R)-3-amino-3-(6-chloro-2-fluoro-3-methylphenyl)propanoate
PubChem CID171249430
Molecular FormulaC11H13ClFNO2
Molecular Weight245.68 g/mol
Exact Mass245.06
IUPAC Namemethyl (3R)-3-amino-3-(6-chloro-2-fluoro-3-methylphenyl)propanoate
SMILESCOC(=O)C[C@@H](N)c1c(Cl)ccc(C)c1F
InChIInChI=1S/C11H13ClFNO2/c1-6-3-4-7(12)10(11(6)13)8(14)5-9(15)16-2/h3-4,8H,5,14H2,1-2H3/t8-/m1/s1
InChIKeyMVDSUHAYARFEFF-MRVPVSSYSA-N
XLogP2.35
TPSA52.32 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500245.68
LogP ≤ 52.35
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze methyl (3R)-3-amino-3-(6-chloro-2-fluoro-3-methylphenyl)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-(3,6-dichloro-2-fluorophenyl)propanoate;hydrochloride
CID 171251582
ethyl (3S)-3-amino-3-(3,6-dichloro-2-fluorophenyl)propanoate;hydrochloride
CID 171235294
methyl (3R)-3-amino-3-(2,3-difluoro-4-methylphenyl)propanoate
CID 171249752
methyl (3S)-3-amino-3-(2,3-difluoro-4-methylphenyl)propanoate
CID 171243019
methyl (3S)-3-amino-3-[3-chloro-2-fluoro-6-(trifluoromethyl)phenyl]propanoate
CID 171242740
methyl (3S)-3-amino-3-(2,3-difluoro-4-methylphenyl)propanoate;hydrochloride
CID 171243020
methyl (2S)-2-amino-2-(6-chloro-2-fluoro-3-methylphenyl)acetate;hydrochloride
CID 171209172
methyl (3S)-3-amino-3-(2,3,6-trifluorophenyl)propanoate
CID 171241363
methyl (3R)-3-amino-3-(2-chloro-4-fluorophenyl)propanoate
CID 103694392
methyl (3S)-3-amino-3-(4-chloro-3-fluorophenyl)propanoate
CID 78974753
ethyl (3S)-3-amino-3-(3-chloro-2,6-difluorophenyl)propanoate;hydrochloride
CID 171228607
methyl (3R)-3-amino-3-(3-amino-2-hydroxy-6-methylphenyl)propanoate
CID 171256915

Frequently Asked Questions

What is the IUPAC name of methyl (3R)-3-amino-3-(6-chloro-2-fluoro-3-methylphenyl)propanoate?
The IUPAC name of methyl (3R)-3-amino-3-(6-chloro-2-fluoro-3-methylphenyl)propanoate (CID 171249430) is methyl (3R)-3-amino-3-(6-chloro-2-fluoro-3-methylphenyl)propanoate.
What is the SMILES notation for methyl (3R)-3-amino-3-(6-chloro-2-fluoro-3-methylphenyl)propanoate?
The canonical SMILES for methyl (3R)-3-amino-3-(6-chloro-2-fluoro-3-methylphenyl)propanoate is COC(=O)C[C@@H](N)c1c(Cl)ccc(C)c1F.
What is the InChIKey of methyl (3R)-3-amino-3-(6-chloro-2-fluoro-3-methylphenyl)propanoate?
The InChIKey is MVDSUHAYARFEFF-MRVPVSSYSA-N. The full InChI is InChI=1S/C11H13ClFNO2/c1-6-3-4-7(12)10(11(6)13)8(14)5-9(15)16-2/h3-4,8H,5,14H2,1-2H3/t8-/m1/s1.
What are the key properties of methyl (3R)-3-amino-3-(6-chloro-2-fluoro-3-methylphenyl)propanoate?
methyl (3R)-3-amino-3-(6-chloro-2-fluoro-3-methylphenyl)propanoate has a molecular weight of 245.68 g/mol, XLogP of 2.35, 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-(6-chloro-2-fluoro-3-methylphenyl)propanoate is sourced from PubChem (CID 171249430), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).