methyl 2-amino-3-(2-fluoro-3-methylphenoxy)propanoate

C11H14FNO3 — CID 107660467

IUPACmethyl 2-amino-3-(2-fluoro-3-methylphenoxy)propanoate
SMILESCOC(=O)C(N)COc1cccc(C)c1F
InChIInChI=1S/C11H14FNO3/c1-7-4-3-5-9(10(7)12)16-6-8(13)11(14)15-2/h3-5,8H,6,13H2,1-2H3
InChIKeyKDKYCIZLHQQJOL-UHFFFAOYSA-N
MW227.24 g/mol
LogP1.01
Rot. Bonds4

About methyl 2-amino-3-(2-fluoro-3-methylphenoxy)propanoate

methyl 2-amino-3-(2-fluoro-3-methylphenoxy)propanoate (PubChem CID 107660467) has the molecular formula C11H14FNO3 and a molecular weight of 227.24 g/mol. Its IUPAC name is methyl 2-amino-3-(2-fluoro-3-methylphenoxy)propanoate.

Molecular Properties

Compound Namemethyl 2-amino-3-(2-fluoro-3-methylphenoxy)propanoate
PubChem CID107660467
Molecular FormulaC11H14FNO3
Molecular Weight227.24 g/mol
Exact Mass227.10
IUPAC Namemethyl 2-amino-3-(2-fluoro-3-methylphenoxy)propanoate
SMILESCOC(=O)C(N)COc1cccc(C)c1F
InChIInChI=1S/C11H14FNO3/c1-7-4-3-5-9(10(7)12)16-6-8(13)11(14)15-2/h3-5,8H,6,13H2,1-2H3
InChIKeyKDKYCIZLHQQJOL-UHFFFAOYSA-N
XLogP1.01
TPSA61.55 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500227.24
LogP ≤ 51.01
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

methyl 2-amino-4-(2-fluoro-3-methylphenoxy)butanoate
CID 107660515
ethyl 2-amino-3-(2,3-difluorophenoxy)propanoate
CID 55144001
methyl (2S)-2-amino-3-(2-fluoro-3-methylphenyl)propanoate
CID 171238438
methyl 2-amino-3-(2-chlorophenoxy)propanoate
CID 86263203
ethyl 2-amino-4-(2-fluoro-3-methylphenoxy)butanoate
CID 107660550
1-(2,2-difluoroethoxy)-2-fluoro-3-methylbenzene
CID 104853711
methyl 2-methyl-3-(2-methylphenoxy)propanoate
CID 43537668
3-(2-fluoro-3-methylphenoxy)-2-methylpropan-1-amine
CID 107659711
methyl 4-(2-fluoro-3-methylphenoxy)butanoate
CID 103988294
2-amino-3-(2-fluoro-3-methylphenoxy)-2-methylpropanoic acid
CID 107660407
1-(2-fluoro-3-methylphenoxy)-3-methoxy-3-methylbutan-2-ol
CID 114228818
methyl 2-amino-3-(3-chlorophenoxy)propanoate
CID 86263202

Frequently Asked Questions

What is the IUPAC name of methyl 2-amino-3-(2-fluoro-3-methylphenoxy)propanoate?
The IUPAC name of methyl 2-amino-3-(2-fluoro-3-methylphenoxy)propanoate (CID 107660467) is methyl 2-amino-3-(2-fluoro-3-methylphenoxy)propanoate.
What is the SMILES notation for methyl 2-amino-3-(2-fluoro-3-methylphenoxy)propanoate?
The canonical SMILES for methyl 2-amino-3-(2-fluoro-3-methylphenoxy)propanoate is COC(=O)C(N)COc1cccc(C)c1F.
What is the InChIKey of methyl 2-amino-3-(2-fluoro-3-methylphenoxy)propanoate?
The InChIKey is KDKYCIZLHQQJOL-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H14FNO3/c1-7-4-3-5-9(10(7)12)16-6-8(13)11(14)15-2/h3-5,8H,6,13H2,1-2H3.
What are the key properties of methyl 2-amino-3-(2-fluoro-3-methylphenoxy)propanoate?
methyl 2-amino-3-(2-fluoro-3-methylphenoxy)propanoate has a molecular weight of 227.24 g/mol, XLogP of 1.01, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 2-amino-3-(2-fluoro-3-methylphenoxy)propanoate is sourced from PubChem (CID 107660467), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).