2-amino-3-[3-(2-fluoroethyl)-5-hydroxyphenyl]propanoic acid

C11H14FNO3 — CID 69488080

IUPAC2-amino-3-[3-(2-fluoroethyl)-5-hydroxyphenyl]propanoic acid
SMILESNC(Cc1cc(O)cc(CCF)c1)C(=O)O
InChIInChI=1S/C11H14FNO3/c12-2-1-7-3-8(5-9(14)4-7)6-10(13)11(15)16/h3-5,10,14H,1-2,6,13H2,(H,15,16)
InChIKeyOOEUWTOYKYHFJH-UHFFFAOYSA-N
MW227.23 g/mol
LogP0.86
Rot. Bonds5

About 2-amino-3-[3-(2-fluoroethyl)-5-hydroxyphenyl]propanoic acid

2-amino-3-[3-(2-fluoroethyl)-5-hydroxyphenyl]propanoic acid (PubChem CID 69488080) has the molecular formula C11H14FNO3 and a molecular weight of 227.23 g/mol. Its IUPAC name is 2-amino-3-[3-(2-fluoroethyl)-5-hydroxyphenyl]propanoic acid.

Molecular Properties

Compound Name2-amino-3-[3-(2-fluoroethyl)-5-hydroxyphenyl]propanoic acid
PubChem CID69488080
Molecular FormulaC11H14FNO3
Molecular Weight227.23 g/mol
Exact Mass227.10
IUPAC Name2-amino-3-[3-(2-fluoroethyl)-5-hydroxyphenyl]propanoic acid
SMILESNC(Cc1cc(O)cc(CCF)c1)C(=O)O
InChIInChI=1S/C11H14FNO3/c12-2-1-7-3-8(5-9(14)4-7)6-10(13)11(15)16/h3-5,10,14H,1-2,6,13H2,(H,15,16)
InChIKeyOOEUWTOYKYHFJH-UHFFFAOYSA-N
XLogP0.86
TPSA83.55 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500227.23
LogP ≤ 50.86
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Related Compounds

2-amino-3-(3-ethyl-5-hydroxyphenyl)propanoic acid
CID 117298569
2-amino-3-[3-(2-fluoroethyl)-4-hydroxyphenyl]propanoic acid
CID 90660840
(2S)-2-amino-3-(3-hydroxy-5-methoxyphenyl)propanoic acid
CID 39869077
(2R)-2-amino-3-(3-hydroxy-5-methoxyphenyl)propanoic acid
CID 39869075
2-amino-3-[4-(2-fluoroethyl)-2-pyridinyl]propanoic acid
CID 69490346
2-amino-3-(3,5-diamino-4-hydroxyphenyl)propanoic acid
CID 57367824
(2S)-2-amino-3-(4-hydroxy(3,5-13C2)cyclohexa-1,3,5-trien-1-yl)propanoic acid
CID 162642143
(2S)-2-amino-3-(4-hydroxyphenyl)propanoic acid;hydrogen peroxide
CID 87135815
2-amino-3-(4-hydroxyphenyl)propanoic acid;λ2-plumbane
CID 175006953
L-Tyrosine (disodium)
CID 66602062
(2R)-2-amino-3-(4-hydroxyphenyl)propanoic acid;azane
CID 87217970
(2S)-2-amino-3-(4-hydroxyphenyl)propanoic acid;sulfane
CID 161476497

Frequently Asked Questions

What is the IUPAC name of 2-amino-3-[3-(2-fluoroethyl)-5-hydroxyphenyl]propanoic acid?
The IUPAC name of 2-amino-3-[3-(2-fluoroethyl)-5-hydroxyphenyl]propanoic acid (CID 69488080) is 2-amino-3-[3-(2-fluoroethyl)-5-hydroxyphenyl]propanoic acid.
What is the SMILES notation for 2-amino-3-[3-(2-fluoroethyl)-5-hydroxyphenyl]propanoic acid?
The canonical SMILES for 2-amino-3-[3-(2-fluoroethyl)-5-hydroxyphenyl]propanoic acid is NC(Cc1cc(O)cc(CCF)c1)C(=O)O.
What is the InChIKey of 2-amino-3-[3-(2-fluoroethyl)-5-hydroxyphenyl]propanoic acid?
The InChIKey is OOEUWTOYKYHFJH-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H14FNO3/c12-2-1-7-3-8(5-9(14)4-7)6-10(13)11(15)16/h3-5,10,14H,1-2,6,13H2,(H,15,16).
What are the key properties of 2-amino-3-[3-(2-fluoroethyl)-5-hydroxyphenyl]propanoic acid?
2-amino-3-[3-(2-fluoroethyl)-5-hydroxyphenyl]propanoic acid has a molecular weight of 227.23 g/mol, XLogP of 0.86, 5 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-3-[3-(2-fluoroethyl)-5-hydroxyphenyl]propanoic acid is sourced from PubChem (CID 69488080), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).