2-amino-3-[3-(2-fluoroethyl)-4-hydroxyphenyl]propanoic acid

C11H14FNO3 — CID 90660840

IUPAC2-amino-3-[3-(2-fluoroethyl)-4-hydroxyphenyl]propanoic acid
SMILESNC(Cc1ccc(O)c(CCF)c1)C(=O)O
InChIInChI=1S/C11H14FNO3/c12-4-3-8-5-7(1-2-10(8)14)6-9(13)11(15)16/h1-2,5,9,14H,3-4,6,13H2,(H,15,16)
InChIKeyCZMWTWQTHUOMAN-UHFFFAOYSA-N
MW227.23 g/mol
LogP0.86
Rot. Bonds5

About 2-amino-3-[3-(2-fluoroethyl)-4-hydroxyphenyl]propanoic acid

2-amino-3-[3-(2-fluoroethyl)-4-hydroxyphenyl]propanoic acid (PubChem CID 90660840) has the molecular formula C11H14FNO3 and a molecular weight of 227.23 g/mol. Its IUPAC name is 2-amino-3-[3-(2-fluoroethyl)-4-hydroxyphenyl]propanoic acid.

Molecular Properties

Compound Name2-amino-3-[3-(2-fluoroethyl)-4-hydroxyphenyl]propanoic acid
PubChem CID90660840
Molecular FormulaC11H14FNO3
Molecular Weight227.23 g/mol
Exact Mass227.10
IUPAC Name2-amino-3-[3-(2-fluoroethyl)-4-hydroxyphenyl]propanoic acid
SMILESNC(Cc1ccc(O)c(CCF)c1)C(=O)O
InChIInChI=1S/C11H14FNO3/c12-4-3-8-5-7(1-2-10(8)14)6-9(13)11(15)16/h1-2,5,9,14H,3-4,6,13H2,(H,15,16)
InChIKeyCZMWTWQTHUOMAN-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

3-[3-(2-fluoroethyl)-4-hydroxyphenyl]-2-methylpropanoic acid
CID 146556898
(2S)-2-amino-3-[4-hydroxy-3-(hydroxymethyl)phenyl]propanoic acid
CID 10081872
2-amino-3-[3,4-bis(carboxymethyl)phenyl]propanoic acid;hydrochloride
CID 138399318
(2S)-2-amino-3-(4-hydroxy-3-prop-2-enylphenyl)propanoic acid
CID 70486042
CID 175932180
CID 175932180
2-amino-3-(3,4-dihydroxyphenyl)propanoic acid;hydrochloride
CID 66974739
2-amino-3-(3,4-dihydroxyphenyl)propanoic acid;hydrate
CID 77239806
(2S)-2-amino-3-(3,4-dihydroxyphenyl)propanoic acid;uranium
CID 157307595
tris((2S)-2-amino-3-(3,4-dihydroxyphenyl)propanoic acid);cerium
CID 163286860
(2S)-2-amino-3-(3-amino-4-hydroxyphenyl)propanoic acid;hydrochloride
CID 70213265
(2S)-2-amino-3-[3-(fluoromethyl)-4-methylphenyl]propanoic acid
CID 144937817
2-amino-3-(3,4-dihydroxyphenyl)propanoic acid;phosphoric acid
CID 89154660

Frequently Asked Questions

What is the IUPAC name of 2-amino-3-[3-(2-fluoroethyl)-4-hydroxyphenyl]propanoic acid?
The IUPAC name of 2-amino-3-[3-(2-fluoroethyl)-4-hydroxyphenyl]propanoic acid (CID 90660840) is 2-amino-3-[3-(2-fluoroethyl)-4-hydroxyphenyl]propanoic acid.
What is the SMILES notation for 2-amino-3-[3-(2-fluoroethyl)-4-hydroxyphenyl]propanoic acid?
The canonical SMILES for 2-amino-3-[3-(2-fluoroethyl)-4-hydroxyphenyl]propanoic acid is NC(Cc1ccc(O)c(CCF)c1)C(=O)O.
What is the InChIKey of 2-amino-3-[3-(2-fluoroethyl)-4-hydroxyphenyl]propanoic acid?
The InChIKey is CZMWTWQTHUOMAN-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H14FNO3/c12-4-3-8-5-7(1-2-10(8)14)6-9(13)11(15)16/h1-2,5,9,14H,3-4,6,13H2,(H,15,16).
What are the key properties of 2-amino-3-[3-(2-fluoroethyl)-4-hydroxyphenyl]propanoic acid?
2-amino-3-[3-(2-fluoroethyl)-4-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)-4-hydroxyphenyl]propanoic acid is sourced from PubChem (CID 90660840), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).