methyl (3R)-3-amino-3-(2-fluoro-6-methoxyphenyl)propanoate

C11H14FNO3 — CID 171249964

IUPACmethyl (3R)-3-amino-3-(2-fluoro-6-methoxyphenyl)propanoate
SMILESCOC(=O)C[C@@H](N)c1c(F)cccc1OC
InChIInChI=1S/C11H14FNO3/c1-15-9-5-3-4-7(12)11(9)8(13)6-10(14)16-2/h3-5,8H,6,13H2,1-2H3/t8-/m1/s1
InChIKeyGIKQEHLCMBMZKS-MRVPVSSYSA-N
MW227.24 g/mol
LogP1.40
Rot. Bonds4

About methyl (3R)-3-amino-3-(2-fluoro-6-methoxyphenyl)propanoate

methyl (3R)-3-amino-3-(2-fluoro-6-methoxyphenyl)propanoate (PubChem CID 171249964) has the molecular formula C11H14FNO3 and a molecular weight of 227.24 g/mol. Its IUPAC name is methyl (3R)-3-amino-3-(2-fluoro-6-methoxyphenyl)propanoate.

Molecular Properties

Compound Namemethyl (3R)-3-amino-3-(2-fluoro-6-methoxyphenyl)propanoate
PubChem CID171249964
Molecular FormulaC11H14FNO3
Molecular Weight227.24 g/mol
Exact Mass227.10
IUPAC Namemethyl (3R)-3-amino-3-(2-fluoro-6-methoxyphenyl)propanoate
SMILESCOC(=O)C[C@@H](N)c1c(F)cccc1OC
InChIInChI=1S/C11H14FNO3/c1-15-9-5-3-4-7(12)11(9)8(13)6-10(14)16-2/h3-5,8H,6,13H2,1-2H3/t8-/m1/s1
InChIKeyGIKQEHLCMBMZKS-MRVPVSSYSA-N
XLogP1.40
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 ≤ 51.40
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

methyl 4-(2-fluoro-6-methoxyphenyl)-3,4-dihydroxybutanoate
CID 171895486
(1S)-1-(2-fluoro-6-methoxyphenyl)-3-methylbut-3-en-1-amine
CID 171230255
ethyl 3-amino-3-(2,6-difluorophenyl)propanoate
CID 43147915
methyl 3-amino-3-(2,3-difluorophenyl)propanoate
CID 63668898
methyl (3S)-3-amino-3-(2,3,6-trifluorophenyl)propanoate
CID 171241363
(1S)-2-fluoro-1-(2-fluoro-6-methoxyphenyl)ethanamine;hydrochloride
CID 171210621
(1S)-1-(2-fluoro-6-methoxyphenyl)propane-1,3-diamine
CID 171230221
methyl (3R)-3-amino-3-(3-fluoro-2-methylphenyl)propanoate;hydrochloride
CID 171247663
methyl (3R)-3-amino-3-(2,3-dimethoxyphenyl)propanoate
CID 7175981
methyl (2S)-2-amino-2-(2-fluoro-6-methoxyphenyl)acetate;hydrochloride
CID 171210665
methyl (3S)-3-amino-3-(2-hydroxy-3-methoxyphenyl)propanoate;hydrochloride
CID 171243705
methyl (3S)-3-amino-3-(4-fluoro-2-methoxyphenyl)propanoate
CID 171243535

Frequently Asked Questions

What is the IUPAC name of methyl (3R)-3-amino-3-(2-fluoro-6-methoxyphenyl)propanoate?
The IUPAC name of methyl (3R)-3-amino-3-(2-fluoro-6-methoxyphenyl)propanoate (CID 171249964) is methyl (3R)-3-amino-3-(2-fluoro-6-methoxyphenyl)propanoate.
What is the SMILES notation for methyl (3R)-3-amino-3-(2-fluoro-6-methoxyphenyl)propanoate?
The canonical SMILES for methyl (3R)-3-amino-3-(2-fluoro-6-methoxyphenyl)propanoate is COC(=O)C[C@@H](N)c1c(F)cccc1OC.
What is the InChIKey of methyl (3R)-3-amino-3-(2-fluoro-6-methoxyphenyl)propanoate?
The InChIKey is GIKQEHLCMBMZKS-MRVPVSSYSA-N. The full InChI is InChI=1S/C11H14FNO3/c1-15-9-5-3-4-7(12)11(9)8(13)6-10(14)16-2/h3-5,8H,6,13H2,1-2H3/t8-/m1/s1.
What are the key properties of methyl (3R)-3-amino-3-(2-fluoro-6-methoxyphenyl)propanoate?
methyl (3R)-3-amino-3-(2-fluoro-6-methoxyphenyl)propanoate has a molecular weight of 227.24 g/mol, XLogP of 1.40, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for methyl (3R)-3-amino-3-(2-fluoro-6-methoxyphenyl)propanoate is sourced from PubChem (CID 171249964), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).