methyl 2-(2-amino-6-fluorophenoxy)propanoate

C10H12FNO3 — CID 104831172

IUPACmethyl 2-(2-amino-6-fluorophenoxy)propanoate
SMILESCOC(=O)C(C)Oc1c(N)cccc1F
InChIInChI=1S/C10H12FNO3/c1-6(10(13)14-2)15-9-7(11)4-3-5-8(9)12/h3-6H,12H2,1-2H3
InChIKeyYIWNTAUFGMHPQA-UHFFFAOYSA-N
MW213.21 g/mol
LogP1.35
Rot. Bonds3

About methyl 2-(2-amino-6-fluorophenoxy)propanoate

methyl 2-(2-amino-6-fluorophenoxy)propanoate (PubChem CID 104831172) has the molecular formula C10H12FNO3 and a molecular weight of 213.21 g/mol. Its IUPAC name is methyl 2-(2-amino-6-fluorophenoxy)propanoate.

Molecular Properties

Compound Namemethyl 2-(2-amino-6-fluorophenoxy)propanoate
PubChem CID104831172
Molecular FormulaC10H12FNO3
Molecular Weight213.21 g/mol
Exact Mass213.08
IUPAC Namemethyl 2-(2-amino-6-fluorophenoxy)propanoate
SMILESCOC(=O)C(C)Oc1c(N)cccc1F
InChIInChI=1S/C10H12FNO3/c1-6(10(13)14-2)15-9-7(11)4-3-5-8(9)12/h3-6H,12H2,1-2H3
InChIKeyYIWNTAUFGMHPQA-UHFFFAOYSA-N
XLogP1.35
TPSA61.55 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500213.21
LogP ≤ 51.35
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aniline', 'substructure': 'N/A'}

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Related Compounds

2-(2-amino-6-fluorophenoxy)-N-methylpropanamide
CID 104831459
methyl 2-(3-amino-4-fluorophenoxy)propanoate
CID 66717597
methyl (2R)-2-(3-amino-4-fluorophenoxy)propanoate
CID 170783565
methyl (2R)-2-(4-bromo-2,6-difluorophenoxy)propanoate
CID 131748200
methyl 2-(4-bromo-2,6-difluorophenoxy)propanoate
CID 175054822
methyl (2S)-2-(2-cyano-3-fluorophenoxy)propanoate
CID 103337913
methyl 2-[2,6-difluoro-4-(hydroxymethyl)phenoxy]propanoate
CID 79888346
(2-amino-6-fluorophenyl) propanoate
CID 70075863
2-[2-(aminomethyl)-6-fluorophenoxy]-N-methylpropanamide
CID 112608112
ethyl 2-[2-fluoro-6-(hydroxymethyl)phenoxy]propanoate
CID 112613216
methyl 2-(5-amino-2-chloro-4-fluorophenoxy)propanoate
CID 22073037
2-(2-amino-6-chlorophenoxy)-N-methylpropanamide
CID 107715753

Frequently Asked Questions

What is the IUPAC name of methyl 2-(2-amino-6-fluorophenoxy)propanoate?
The IUPAC name of methyl 2-(2-amino-6-fluorophenoxy)propanoate (CID 104831172) is methyl 2-(2-amino-6-fluorophenoxy)propanoate.
What is the SMILES notation for methyl 2-(2-amino-6-fluorophenoxy)propanoate?
The canonical SMILES for methyl 2-(2-amino-6-fluorophenoxy)propanoate is COC(=O)C(C)Oc1c(N)cccc1F.
What is the InChIKey of methyl 2-(2-amino-6-fluorophenoxy)propanoate?
The InChIKey is YIWNTAUFGMHPQA-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H12FNO3/c1-6(10(13)14-2)15-9-7(11)4-3-5-8(9)12/h3-6H,12H2,1-2H3.
What are the key properties of methyl 2-(2-amino-6-fluorophenoxy)propanoate?
methyl 2-(2-amino-6-fluorophenoxy)propanoate has a molecular weight of 213.21 g/mol, XLogP of 1.35, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 2-(2-amino-6-fluorophenoxy)propanoate is sourced from PubChem (CID 104831172), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).