methyl 3-amino-3-(2-fluoro-5-methylphenyl)propanoate

C11H14FNO2 — CID 103846565

IUPACmethyl 3-amino-3-(2-fluoro-5-methylphenyl)propanoate
SMILESCOC(=O)CC(N)c1cc(C)ccc1F
InChIInChI=1S/C11H14FNO2/c1-7-3-4-9(12)8(5-7)10(13)6-11(14)15-2/h3-5,10H,6,13H2,1-2H3
InChIKeyQWUYNGSCBYCRED-UHFFFAOYSA-N
MW211.24 g/mol
LogP1.70
Rot. Bonds3

About methyl 3-amino-3-(2-fluoro-5-methylphenyl)propanoate

methyl 3-amino-3-(2-fluoro-5-methylphenyl)propanoate (PubChem CID 103846565) has the molecular formula C11H14FNO2 and a molecular weight of 211.24 g/mol. Its IUPAC name is methyl 3-amino-3-(2-fluoro-5-methylphenyl)propanoate.

Molecular Properties

Compound Namemethyl 3-amino-3-(2-fluoro-5-methylphenyl)propanoate
PubChem CID103846565
Molecular FormulaC11H14FNO2
Molecular Weight211.24 g/mol
Exact Mass211.10
IUPAC Namemethyl 3-amino-3-(2-fluoro-5-methylphenyl)propanoate
SMILESCOC(=O)CC(N)c1cc(C)ccc1F
InChIInChI=1S/C11H14FNO2/c1-7-3-4-9(12)8(5-7)10(13)6-11(14)15-2/h3-5,10H,6,13H2,1-2H3
InChIKeyQWUYNGSCBYCRED-UHFFFAOYSA-N
XLogP1.70
TPSA52.32 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500211.24
LogP ≤ 51.70
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

methyl (3R)-3-amino-3-(2,5-difluorophenyl)propanoate;hydrochloride
CID 171247795
methyl (3R)-3-amino-3-[2-fluoro-5-(trifluoromethyl)phenyl]propanoate
CID 171249573
methyl (3R)-3-amino-3-(2,4-dimethylphenyl)propanoate
CID 7256494
methyl (3R)-3-amino-3-(3,4-difluorophenyl)propanoate
CID 29059566
methyl (3S)-3-amino-3-(4-bromo-2-fluorophenyl)propanoate
CID 61150230
methyl (3S)-3-amino-3-(3,4-difluorophenyl)propanoate;hydrochloride
CID 171243036
methyl 3-amino-3-(2,3-difluorophenyl)propanoate
CID 63668898
methyl 3-amino-3-(4-methylphenyl)propanoate
CID 2769473
methyl (3R)-3-amino-3-(3-bromo-4-fluoro-2-hydroxyphenyl)propanoate
CID 171256964
methyl (3S)-3-amino-3-(2,3-difluoro-4-methylphenyl)propanoate
CID 171243019
methyl (3S)-3-amino-3-(2,3,6-trifluorophenyl)propanoate
CID 171241363
methyl (3R)-3-amino-3-(2,3-difluoro-4-methylphenyl)propanoate
CID 171249752

Frequently Asked Questions

What is the IUPAC name of methyl 3-amino-3-(2-fluoro-5-methylphenyl)propanoate?
The IUPAC name of methyl 3-amino-3-(2-fluoro-5-methylphenyl)propanoate (CID 103846565) is methyl 3-amino-3-(2-fluoro-5-methylphenyl)propanoate.
What is the SMILES notation for methyl 3-amino-3-(2-fluoro-5-methylphenyl)propanoate?
The canonical SMILES for methyl 3-amino-3-(2-fluoro-5-methylphenyl)propanoate is COC(=O)CC(N)c1cc(C)ccc1F.
What is the InChIKey of methyl 3-amino-3-(2-fluoro-5-methylphenyl)propanoate?
The InChIKey is QWUYNGSCBYCRED-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H14FNO2/c1-7-3-4-9(12)8(5-7)10(13)6-11(14)15-2/h3-5,10H,6,13H2,1-2H3.
What are the key properties of methyl 3-amino-3-(2-fluoro-5-methylphenyl)propanoate?
methyl 3-amino-3-(2-fluoro-5-methylphenyl)propanoate has a molecular weight of 211.24 g/mol, XLogP of 1.70, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 3-amino-3-(2-fluoro-5-methylphenyl)propanoate is sourced from PubChem (CID 103846565), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).