2-amino-3-[3-(2-fluoroethoxy)phenyl]propanoic acid

C11H14FNO3 — CID 144937795

IUPAC2-amino-3-[3-(2-fluoroethoxy)phenyl]propanoic acid
SMILESNC(Cc1cccc(OCCF)c1)C(=O)O
InChIInChI=1S/C11H14FNO3/c12-4-5-16-9-3-1-2-8(6-9)7-10(13)11(14)15/h1-3,6,10H,4-5,7,13H2,(H,14,15)
InChIKeyGSWPVIYLUPMFHA-UHFFFAOYSA-N
MW227.23 g/mol
LogP0.99
Rot. Bonds6

About 2-amino-3-[3-(2-fluoroethoxy)phenyl]propanoic acid

2-amino-3-[3-(2-fluoroethoxy)phenyl]propanoic acid (PubChem CID 144937795) has the molecular formula C11H14FNO3 and a molecular weight of 227.23 g/mol. Its IUPAC name is 2-amino-3-[3-(2-fluoroethoxy)phenyl]propanoic acid.

Molecular Properties

Compound Name2-amino-3-[3-(2-fluoroethoxy)phenyl]propanoic acid
PubChem CID144937795
Molecular FormulaC11H14FNO3
Molecular Weight227.23 g/mol
Exact Mass227.10
IUPAC Name2-amino-3-[3-(2-fluoroethoxy)phenyl]propanoic acid
SMILESNC(Cc1cccc(OCCF)c1)C(=O)O
InChIInChI=1S/C11H14FNO3/c12-4-5-16-9-3-1-2-8(6-9)7-10(13)11(14)15/h1-3,6,10H,4-5,7,13H2,(H,14,15)
InChIKeyGSWPVIYLUPMFHA-UHFFFAOYSA-N
XLogP0.99
TPSA72.55 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500227.23
LogP ≤ 50.99
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

(2S)-2-amino-3-[3-(carboxymethoxy)phenyl]propanoic acid
CID 169025333
(2R)-2-amino-3-[4-(2-(18F)fluoroethoxy)phenyl]propanoic acid
CID 11499578
(2S)-2-amino-3-[3-(2-naphthalen-2-ylethoxy)phenyl]propanoic acid
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2-amino-3-[3-(2,3-dichloropropoxy)phenyl]propanoic acid
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2-amino-3-[3-(2-amino-3-phenylpropanoyl)oxyphenyl]propanoic acid
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2-amino-3-[5-(2-fluoroethoxy)-2-(fluoromethyl)phenyl]propanoic acid
CID 90345475
(2S)-2-amino-3-[4-(3-fluoropropoxy)phenyl]propanoic acid;hydrochloride
CID 118157791
(2R)-2-amino-3-[3-(3,4-dichlorophenoxy)phenyl]propanoic acid
CID 70117929
2-[3-(2-fluoroethoxy)phenyl]ethanamine
CID 80693684
(2S)-2-amino-3-[3-(hydroxymethyl)phenyl]propanoic acid
CID 67059715
methyl 2-amino-3-(3-pentoxyphenyl)propanoate
CID 170883873
2-aminoacetic acid;bis(2-amino-3-phenylpropanoic acid)
CID 19809864

Frequently Asked Questions

What is the IUPAC name of 2-amino-3-[3-(2-fluoroethoxy)phenyl]propanoic acid?
The IUPAC name of 2-amino-3-[3-(2-fluoroethoxy)phenyl]propanoic acid (CID 144937795) is 2-amino-3-[3-(2-fluoroethoxy)phenyl]propanoic acid.
What is the SMILES notation for 2-amino-3-[3-(2-fluoroethoxy)phenyl]propanoic acid?
The canonical SMILES for 2-amino-3-[3-(2-fluoroethoxy)phenyl]propanoic acid is NC(Cc1cccc(OCCF)c1)C(=O)O.
What is the InChIKey of 2-amino-3-[3-(2-fluoroethoxy)phenyl]propanoic acid?
The InChIKey is GSWPVIYLUPMFHA-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H14FNO3/c12-4-5-16-9-3-1-2-8(6-9)7-10(13)11(14)15/h1-3,6,10H,4-5,7,13H2,(H,14,15).
What are the key properties of 2-amino-3-[3-(2-fluoroethoxy)phenyl]propanoic acid?
2-amino-3-[3-(2-fluoroethoxy)phenyl]propanoic acid has a molecular weight of 227.23 g/mol, XLogP of 0.99, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-3-[3-(2-fluoroethoxy)phenyl]propanoic acid is sourced from PubChem (CID 144937795), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).