methyl 2-(aminomethyl)-3-fluoro-2-(2-hydroxyphenyl)propanoate

C11H14FNO3 — CID 105484464

IUPACmethyl 2-(aminomethyl)-3-fluoro-2-(2-hydroxyphenyl)propanoate
SMILESCOC(=O)C(CN)(CF)c1ccccc1O
InChIInChI=1S/C11H14FNO3/c1-16-10(15)11(6-12,7-13)8-4-2-3-5-9(8)14/h2-5,14H,6-7,13H2,1H3
InChIKeyIYDPMYVJADNEIR-UHFFFAOYSA-N
MW227.24 g/mol
LogP0.73
Rot. Bonds4

About methyl 2-(aminomethyl)-3-fluoro-2-(2-hydroxyphenyl)propanoate

methyl 2-(aminomethyl)-3-fluoro-2-(2-hydroxyphenyl)propanoate (PubChem CID 105484464) has the molecular formula C11H14FNO3 and a molecular weight of 227.24 g/mol. Its IUPAC name is methyl 2-(aminomethyl)-3-fluoro-2-(2-hydroxyphenyl)propanoate.

Molecular Properties

Compound Namemethyl 2-(aminomethyl)-3-fluoro-2-(2-hydroxyphenyl)propanoate
PubChem CID105484464
Molecular FormulaC11H14FNO3
Molecular Weight227.24 g/mol
Exact Mass227.10
IUPAC Namemethyl 2-(aminomethyl)-3-fluoro-2-(2-hydroxyphenyl)propanoate
SMILESCOC(=O)C(CN)(CF)c1ccccc1O
InChIInChI=1S/C11H14FNO3/c1-16-10(15)11(6-12,7-13)8-4-2-3-5-9(8)14/h2-5,14H,6-7,13H2,1H3
InChIKeyIYDPMYVJADNEIR-UHFFFAOYSA-N
XLogP0.73
TPSA72.55 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500227.24
LogP ≤ 50.73
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

2-(aminomethyl)-3-fluoro-2-(2-hydroxyphenyl)propanoic acid
CID 105466548
methyl 2-(aminomethyl)-4,4-difluoro-2-(2-methylphenyl)butanoate
CID 106509032
methyl 2-(aminomethyl)-5-fluoro-2-phenylpentanoate
CID 106489227
methyl 2-(aminomethyl)-6,6,6-trifluoro-2-(2-methylphenyl)hexanoate
CID 106509037
methyl 2-(aminomethyl)-5-hydroxy-2-(2-methylphenyl)pentanoate
CID 106509046
methyl 2,2-dihydroxy-2-(2-hydroxyphenyl)acetate
CID 141029316
methyl 2-(aminomethyl)-2-phenylhexanoate
CID 106489213
methyl 2-(aminomethyl)-4-butoxy-2-(2-methylphenyl)butanoate
CID 106509042
methyl 2-(aminomethyl)-3-ethoxy-2-phenylpropanoate
CID 106489257
methyl 2-(aminomethyl)-3-(4-aminophenyl)-2-phenylpropanoate
CID 106489201
methyl 2-(aminomethyl)-2-(2-methylphenyl)-3-(2-methyl-1,3-thiazol-4-yl)propanoate
CID 106509013
methyl 2-(aminomethyl)-2-(4-methylphenyl)pentanoate
CID 106509339

Frequently Asked Questions

What is the IUPAC name of methyl 2-(aminomethyl)-3-fluoro-2-(2-hydroxyphenyl)propanoate?
The IUPAC name of methyl 2-(aminomethyl)-3-fluoro-2-(2-hydroxyphenyl)propanoate (CID 105484464) is methyl 2-(aminomethyl)-3-fluoro-2-(2-hydroxyphenyl)propanoate.
What is the SMILES notation for methyl 2-(aminomethyl)-3-fluoro-2-(2-hydroxyphenyl)propanoate?
The canonical SMILES for methyl 2-(aminomethyl)-3-fluoro-2-(2-hydroxyphenyl)propanoate is COC(=O)C(CN)(CF)c1ccccc1O.
What is the InChIKey of methyl 2-(aminomethyl)-3-fluoro-2-(2-hydroxyphenyl)propanoate?
The InChIKey is IYDPMYVJADNEIR-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H14FNO3/c1-16-10(15)11(6-12,7-13)8-4-2-3-5-9(8)14/h2-5,14H,6-7,13H2,1H3.
What are the key properties of methyl 2-(aminomethyl)-3-fluoro-2-(2-hydroxyphenyl)propanoate?
methyl 2-(aminomethyl)-3-fluoro-2-(2-hydroxyphenyl)propanoate has a molecular weight of 227.24 g/mol, XLogP of 0.73, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 2-(aminomethyl)-3-fluoro-2-(2-hydroxyphenyl)propanoate is sourced from PubChem (CID 105484464), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).