methyl 2-amino-3-(4-fluoro-3-hydroxyphenyl)propanoate

C10H12FNO3 — CID 77391788

IUPACmethyl 2-amino-3-(4-fluoro-3-hydroxyphenyl)propanoate
SMILESCOC(=O)C(N)Cc1ccc(F)c(O)c1
InChIInChI=1S/C10H12FNO3/c1-15-10(14)8(12)4-6-2-3-7(11)9(13)5-6/h2-3,5,8,13H,4,12H2,1H3
InChIKeyJZDZDMWGBOZZSP-UHFFFAOYSA-N
MW213.21 g/mol
LogP0.57
Rot. Bonds3

About methyl 2-amino-3-(4-fluoro-3-hydroxyphenyl)propanoate

methyl 2-amino-3-(4-fluoro-3-hydroxyphenyl)propanoate (PubChem CID 77391788) has the molecular formula C10H12FNO3 and a molecular weight of 213.21 g/mol. Its IUPAC name is methyl 2-amino-3-(4-fluoro-3-hydroxyphenyl)propanoate.

Molecular Properties

Compound Namemethyl 2-amino-3-(4-fluoro-3-hydroxyphenyl)propanoate
PubChem CID77391788
Molecular FormulaC10H12FNO3
Molecular Weight213.21 g/mol
Exact Mass213.08
IUPAC Namemethyl 2-amino-3-(4-fluoro-3-hydroxyphenyl)propanoate
SMILESCOC(=O)C(N)Cc1ccc(F)c(O)c1
InChIInChI=1S/C10H12FNO3/c1-15-10(14)8(12)4-6-2-3-7(11)9(13)5-6/h2-3,5,8,13H,4,12H2,1H3
InChIKeyJZDZDMWGBOZZSP-UHFFFAOYSA-N
XLogP0.57
TPSA72.55 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500213.21
LogP ≤ 50.57
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

methyl (2S)-2-amino-3-(3-amino-4-fluorophenyl)propanoate
CID 171238427
methyl (2S)-2-amino-3-(3-bromo-4-fluorophenyl)propanoate
CID 68768500
methyl 2-amino-3-(3,4,5-trihydroxyphenyl)propanoate
CID 91499615
methyl (2S)-2-amino-3-(4-chloro-3-fluorophenyl)propanoate
CID 67966222
methyl (2S)-2-amino-3-[3-(deuteriomethyl)-4-fluorophenyl]propanoate;hydrochloride
CID 141024955
methyl 2-amino-3-(3-amino-4-hydroxyphenyl)propanoate
CID 86019498
2-[4-(2-amino-3-methoxy-3-oxopropyl)-2-fluorophenyl]acetic acid
CID 22669267
methyl (2R)-2-amino-3-(4-chlorophenyl)propanoate
CID 827422
methyl 2-amino-3-(3-bromo-4-hydroxyphenyl)propanoate
CID 86137905
methyl 2-amino-3-(4-hydroxy-3-iodophenyl)propanoate;hydrochloride
CID 19873283
methyl 2-amino-3-(4-hydroxyphenyl)propanoate
CID 144819630
5-[(2R)-2-aminopropyl]-2-(18F)fluoro(18F)phenol
CID 67474806

Frequently Asked Questions

What is the IUPAC name of methyl 2-amino-3-(4-fluoro-3-hydroxyphenyl)propanoate?
The IUPAC name of methyl 2-amino-3-(4-fluoro-3-hydroxyphenyl)propanoate (CID 77391788) is methyl 2-amino-3-(4-fluoro-3-hydroxyphenyl)propanoate.
What is the SMILES notation for methyl 2-amino-3-(4-fluoro-3-hydroxyphenyl)propanoate?
The canonical SMILES for methyl 2-amino-3-(4-fluoro-3-hydroxyphenyl)propanoate is COC(=O)C(N)Cc1ccc(F)c(O)c1.
What is the InChIKey of methyl 2-amino-3-(4-fluoro-3-hydroxyphenyl)propanoate?
The InChIKey is JZDZDMWGBOZZSP-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H12FNO3/c1-15-10(14)8(12)4-6-2-3-7(11)9(13)5-6/h2-3,5,8,13H,4,12H2,1H3.
What are the key properties of methyl 2-amino-3-(4-fluoro-3-hydroxyphenyl)propanoate?
methyl 2-amino-3-(4-fluoro-3-hydroxyphenyl)propanoate has a molecular weight of 213.21 g/mol, XLogP of 0.57, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 2-amino-3-(4-fluoro-3-hydroxyphenyl)propanoate is sourced from PubChem (CID 77391788), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).