(2R)-2-amino-3-[4-(2-(18F)fluoroethoxy)phenyl]propanoic acid

C11H14FNO3 — CID 11499578

IUPAC(2R)-2-amino-3-[4-(2-(18F)fluoroethoxy)phenyl]propanoic acid
SMILESN[C@H](Cc1ccc(OCC[18F])cc1)C(=O)O
InChIInChI=1S/C11H14FNO3/c12-5-6-16-9-3-1-8(2-4-9)7-10(13)11(14)15/h1-4,10H,5-7,13H2,(H,14,15)/t10-/m1/s1/i12-1
InChIKeyQZZYPHBVOQMBAT-QRBCNRDUSA-N
MW226.24 g/mol
LogP0.99
Rot. Bonds6

About (2R)-2-amino-3-[4-(2-(18F)fluoroethoxy)phenyl]propanoic acid

(2R)-2-amino-3-[4-(2-(18F)fluoroethoxy)phenyl]propanoic acid (PubChem CID 11499578) has the molecular formula C11H14FNO3 and a molecular weight of 226.24 g/mol. Its IUPAC name is (2R)-2-amino-3-[4-(2-(18F)fluoroethoxy)phenyl]propanoic acid.

Molecular Properties

Compound Name(2R)-2-amino-3-[4-(2-(18F)fluoroethoxy)phenyl]propanoic acid
PubChem CID11499578
Molecular FormulaC11H14FNO3
Molecular Weight226.24 g/mol
Exact Mass226.10
IUPAC Name(2R)-2-amino-3-[4-(2-(18F)fluoroethoxy)phenyl]propanoic acid
SMILESN[C@H](Cc1ccc(OCC[18F])cc1)C(=O)O
InChIInChI=1S/C11H14FNO3/c12-5-6-16-9-3-1-8(2-4-9)7-10(13)11(14)15/h1-4,10H,5-7,13H2,(H,14,15)/t10-/m1/s1/i12-1
InChIKeyQZZYPHBVOQMBAT-QRBCNRDUSA-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 ≤ 500226.24
LogP ≤ 50.99
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

(2S)-2-amino-3-[4-(3-fluoropropoxy)phenyl]propanoic acid;hydrochloride
CID 118157791
(2S)-2-amino-3-[4-(4-aminobutoxy)phenyl]propanoic acid
CID 142948465
CID 88967264
CID 88967264
2-amino-3-[3-(2-fluoroethoxy)phenyl]propanoic acid
CID 144937795
2-amino-3-[4-(3-methylbutoxy)phenyl]propanoic acid;hydrochloride
CID 118157824
(2S)-2-amino-3-(4-undecoxyphenyl)propanoic acid
CID 102330984
2-amino-4-[[4-(3-(18F)fluoropropoxy)phenyl]methyl]pentanedioic acid
CID 70675127
2-amino-3-[4-[2-(oxomethylamino)ethoxy]phenyl]propanoic acid;fermium
CID 178135006
2-amino-3-[5-(2-fluoroethoxy)-2-(fluoromethyl)phenyl]propanoic acid
CID 90345475
(2R)-2-amino-3-[4-(methylsulfanylmethoxy)phenyl]propanoic acid
CID 144552252
2-amino-3-[4-[(E)-but-2-enoxy]phenyl]propanoic acid
CID 143493409
(2R)-2-amino-3-[4-(aminomethyl)phenyl]propanoic acid
CID 7018015

Frequently Asked Questions

What is the IUPAC name of (2R)-2-amino-3-[4-(2-(18F)fluoroethoxy)phenyl]propanoic acid?
The IUPAC name of (2R)-2-amino-3-[4-(2-(18F)fluoroethoxy)phenyl]propanoic acid (CID 11499578) is (2R)-2-amino-3-[4-(2-(18F)fluoroethoxy)phenyl]propanoic acid.
What is the SMILES notation for (2R)-2-amino-3-[4-(2-(18F)fluoroethoxy)phenyl]propanoic acid?
The canonical SMILES for (2R)-2-amino-3-[4-(2-(18F)fluoroethoxy)phenyl]propanoic acid is N[C@H](Cc1ccc(OCC[18F])cc1)C(=O)O.
What is the InChIKey of (2R)-2-amino-3-[4-(2-(18F)fluoroethoxy)phenyl]propanoic acid?
The InChIKey is QZZYPHBVOQMBAT-QRBCNRDUSA-N. The full InChI is InChI=1S/C11H14FNO3/c12-5-6-16-9-3-1-8(2-4-9)7-10(13)11(14)15/h1-4,10H,5-7,13H2,(H,14,15)/t10-/m1/s1/i12-1.
What are the key properties of (2R)-2-amino-3-[4-(2-(18F)fluoroethoxy)phenyl]propanoic acid?
(2R)-2-amino-3-[4-(2-(18F)fluoroethoxy)phenyl]propanoic acid has a molecular weight of 226.24 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 (2R)-2-amino-3-[4-(2-(18F)fluoroethoxy)phenyl]propanoic acid is sourced from PubChem (CID 11499578), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).