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

C11H14FNO3 — CID 83810004

IUPACmethyl 2-amino-3-(2-fluoro-6-methoxyphenyl)propanoate
SMILESCOC(=O)C(N)Cc1c(F)cccc1OC
InChIInChI=1S/C11H14FNO3/c1-15-10-5-3-4-8(12)7(10)6-9(13)11(14)16-2/h3-5,9H,6,13H2,1-2H3
InChIKeyMAAVDJNRVNCAIT-UHFFFAOYSA-N
MW227.24 g/mol
LogP0.88
Rot. Bonds4

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

methyl 2-amino-3-(2-fluoro-6-methoxyphenyl)propanoate (PubChem CID 83810004) has the molecular formula C11H14FNO3 and a molecular weight of 227.24 g/mol. Its IUPAC name is methyl 2-amino-3-(2-fluoro-6-methoxyphenyl)propanoate.

Molecular Properties

Compound Namemethyl 2-amino-3-(2-fluoro-6-methoxyphenyl)propanoate
PubChem CID83810004
Molecular FormulaC11H14FNO3
Molecular Weight227.24 g/mol
Exact Mass227.10
IUPAC Namemethyl 2-amino-3-(2-fluoro-6-methoxyphenyl)propanoate
SMILESCOC(=O)C(N)Cc1c(F)cccc1OC
InChIInChI=1S/C11H14FNO3/c1-15-10-5-3-4-8(12)7(10)6-9(13)11(14)16-2/h3-5,9H,6,13H2,1-2H3
InChIKeyMAAVDJNRVNCAIT-UHFFFAOYSA-N
XLogP0.88
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 ≤ 50.88
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

methyl 2-amino-3-(2-fluoro-6-phenoxyphenyl)propanoate
CID 170883557
methyl 2-amino-3-(3-fluoro-2-methoxyphenyl)propanoate
CID 167713395
1-(2-fluoro-6-methoxyphenyl)butan-2-amine;hydrochloride
CID 170889150
1-amino-3-(2-fluoro-6-methoxyphenyl)propan-2-ol
CID 83442464
methyl (2S)-2-amino-3-(2-methoxyphenyl)propanoate
CID 10703616
methyl (2R)-2-amino-3-(2-fluorophenyl)propanoate;hydrochloride
CID 69489037
methyl (2S)-2-amino-2-(2-fluoro-6-methoxyphenyl)acetate;hydrochloride
CID 171210665
2-[(2S)-2-amino-3-methoxy-3-oxopropyl]-6-fluorobenzoic acid
CID 171238482
methyl (2S)-2-amino-3-(2,3,4,5,6-pentafluorophenyl)propanoate
CID 101254034
(2-fluoro-6-methoxyphenyl)methanamine
CID 40786958
methyl (2S)-2-amino-3-(2,3-difluoro-4-methoxyphenyl)propanoate
CID 171238466
ethyl 2-amino-3-(2,3-difluoro-6-methoxyphenyl)propanoate
CID 170885225

Frequently Asked Questions

What is the IUPAC name of methyl 2-amino-3-(2-fluoro-6-methoxyphenyl)propanoate?
The IUPAC name of methyl 2-amino-3-(2-fluoro-6-methoxyphenyl)propanoate (CID 83810004) is methyl 2-amino-3-(2-fluoro-6-methoxyphenyl)propanoate.
What is the SMILES notation for methyl 2-amino-3-(2-fluoro-6-methoxyphenyl)propanoate?
The canonical SMILES for methyl 2-amino-3-(2-fluoro-6-methoxyphenyl)propanoate is COC(=O)C(N)Cc1c(F)cccc1OC.
What is the InChIKey of methyl 2-amino-3-(2-fluoro-6-methoxyphenyl)propanoate?
The InChIKey is MAAVDJNRVNCAIT-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H14FNO3/c1-15-10-5-3-4-8(12)7(10)6-9(13)11(14)16-2/h3-5,9H,6,13H2,1-2H3.
What are the key properties of methyl 2-amino-3-(2-fluoro-6-methoxyphenyl)propanoate?
methyl 2-amino-3-(2-fluoro-6-methoxyphenyl)propanoate has a molecular weight of 227.24 g/mol, XLogP of 0.88, 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-6-methoxyphenyl)propanoate is sourced from PubChem (CID 83810004), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).