methyl 2-amino-3-(4-fluoro-2,6-dimethylphenyl)propanoate

C12H16FNO2 — CID 170883567

IUPACmethyl 2-amino-3-(4-fluoro-2,6-dimethylphenyl)propanoate
SMILESCOC(=O)C(N)Cc1c(C)cc(F)cc1C
InChIInChI=1S/C12H16FNO2/c1-7-4-9(13)5-8(2)10(7)6-11(14)12(15)16-3/h4-5,11H,6,14H2,1-3H3
InChIKeyFYRSCXZZMZJYJT-UHFFFAOYSA-N
MW225.26 g/mol
LogP1.49
Rot. Bonds3

About methyl 2-amino-3-(4-fluoro-2,6-dimethylphenyl)propanoate

methyl 2-amino-3-(4-fluoro-2,6-dimethylphenyl)propanoate (PubChem CID 170883567) has the molecular formula C12H16FNO2 and a molecular weight of 225.26 g/mol. Its IUPAC name is methyl 2-amino-3-(4-fluoro-2,6-dimethylphenyl)propanoate.

Molecular Properties

Compound Namemethyl 2-amino-3-(4-fluoro-2,6-dimethylphenyl)propanoate
PubChem CID170883567
Molecular FormulaC12H16FNO2
Molecular Weight225.26 g/mol
Exact Mass225.12
IUPAC Namemethyl 2-amino-3-(4-fluoro-2,6-dimethylphenyl)propanoate
SMILESCOC(=O)C(N)Cc1c(C)cc(F)cc1C
InChIInChI=1S/C12H16FNO2/c1-7-4-9(13)5-8(2)10(7)6-11(14)12(15)16-3/h4-5,11H,6,14H2,1-3H3
InChIKeyFYRSCXZZMZJYJT-UHFFFAOYSA-N
XLogP1.49
TPSA52.32 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500225.26
LogP ≤ 51.49
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-amino-3-(4-fluoro-2,6-dimethylphenyl)propanoic acid
CID 170879455
methyl 2-amino-3-(2-hydroxy-4,6-dimethylphenyl)propanoate
CID 155822076
methyl (2S)-2-amino-3-(2,3,4,5,6-pentafluorophenyl)propanoate
CID 101254034
methyl (2R)-2-amino-3-(3-fluoro-5-hydroxyphenyl)propanoate
CID 124518463
methyl (2R)-2-amino-3-(3,5-difluoro-2-hydroxyphenyl)propanoate
CID 171238105
methyl 2-amino-3-(2,6-dimethyl-4-morpholin-4-ylphenyl)propanoate
CID 170884277
methyl 2-amino-3-(2,4,6-trihydroxyphenyl)propanoate
CID 170883280
methyl (2S)-2-amino-3-(2,4-dimethylphenyl)propanoate
CID 91978759
methyl (2S)-2-amino-3-(2-fluoro-3-methylphenyl)propanoate
CID 171238438
methyl (2S)-2-amino-3-(4-hydroxy-2-methylphenyl)propanoate
CID 20846170
methyl (2R)-2-amino-3-(4-hydroxy-2-methylphenyl)propanoate
CID 15730454
methyl (2S)-2-amino-3-(2-chloro-5-fluoro-4-methylphenyl)propanoate
CID 171238453

Frequently Asked Questions

What is the IUPAC name of methyl 2-amino-3-(4-fluoro-2,6-dimethylphenyl)propanoate?
The IUPAC name of methyl 2-amino-3-(4-fluoro-2,6-dimethylphenyl)propanoate (CID 170883567) is methyl 2-amino-3-(4-fluoro-2,6-dimethylphenyl)propanoate.
What is the SMILES notation for methyl 2-amino-3-(4-fluoro-2,6-dimethylphenyl)propanoate?
The canonical SMILES for methyl 2-amino-3-(4-fluoro-2,6-dimethylphenyl)propanoate is COC(=O)C(N)Cc1c(C)cc(F)cc1C.
What is the InChIKey of methyl 2-amino-3-(4-fluoro-2,6-dimethylphenyl)propanoate?
The InChIKey is FYRSCXZZMZJYJT-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H16FNO2/c1-7-4-9(13)5-8(2)10(7)6-11(14)12(15)16-3/h4-5,11H,6,14H2,1-3H3.
What are the key properties of methyl 2-amino-3-(4-fluoro-2,6-dimethylphenyl)propanoate?
methyl 2-amino-3-(4-fluoro-2,6-dimethylphenyl)propanoate has a molecular weight of 225.26 g/mol, XLogP of 1.49, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 2-amino-3-(4-fluoro-2,6-dimethylphenyl)propanoate is sourced from PubChem (CID 170883567), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).