2-[[2-(4-fluorophenyl)-2-hydroxyethyl]amino]propanoic acid

C11H14FNO3 — CID 82313061

IUPAC2-[[2-(4-fluorophenyl)-2-hydroxyethyl]amino]propanoic acid
SMILESCC(NCC(O)c1ccc(F)cc1)C(=O)O
InChIInChI=1S/C11H14FNO3/c1-7(11(15)16)13-6-10(14)8-2-4-9(12)5-3-8/h2-5,7,10,13-14H,6H2,1H3,(H,15,16)
InChIKeyDTNJQDJYOQYQOK-UHFFFAOYSA-N
MW227.24 g/mol
LogP0.92
Rot. Bonds5

About 2-[[2-(4-fluorophenyl)-2-hydroxyethyl]amino]propanoic acid

2-[[2-(4-fluorophenyl)-2-hydroxyethyl]amino]propanoic acid (PubChem CID 82313061) has the molecular formula C11H14FNO3 and a molecular weight of 227.24 g/mol. Its IUPAC name is 2-[[2-(4-fluorophenyl)-2-hydroxyethyl]amino]propanoic acid.

Molecular Properties

Compound Name2-[[2-(4-fluorophenyl)-2-hydroxyethyl]amino]propanoic acid
PubChem CID82313061
Molecular FormulaC11H14FNO3
Molecular Weight227.24 g/mol
Exact Mass227.10
IUPAC Name2-[[2-(4-fluorophenyl)-2-hydroxyethyl]amino]propanoic acid
SMILESCC(NCC(O)c1ccc(F)cc1)C(=O)O
InChIInChI=1S/C11H14FNO3/c1-7(11(15)16)13-6-10(14)8-2-4-9(12)5-3-8/h2-5,7,10,13-14H,6H2,1H3,(H,15,16)
InChIKeyDTNJQDJYOQYQOK-UHFFFAOYSA-N
XLogP0.92
TPSA69.56 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500227.24
LogP ≤ 50.92
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Related Compounds

2-[(2-hydroxy-2-phenylethyl)amino]propanoic acid
CID 60885846
(2S)-2-[[2-(3,5-difluorophenyl)-2-hydroxyethyl]amino]propanoic acid
CID 131723865
(1S)-1-(4-fluorophenyl)-2-(propan-2-ylamino)ethanol
CID 42553259
(1S)-1-(4-fluorophenyl)-2-[[(1S)-1-phenylethyl]amino]ethanol
CID 15983832
2-[[2-(3,4-dimethoxyphenyl)-2-hydroxyethyl]amino]propanoic acid
CID 82314338
(1R)-1-(4-fluorophenyl)-2-[[(2R)-pentan-2-yl]amino]ethanol
CID 138488448
2-[1-(4-chlorophenyl)ethylamino]-1-(4-fluorophenyl)ethanol
CID 60714730
2-[1-(dimethylamino)propan-2-ylamino]-1-(4-fluorophenyl)ethanol
CID 82937633
1-(4-fluorophenyl)-2-(2-methylpropylamino)ethanol
CID 54594094
1-(4-fluorophenyl)-2-[[(1R)-1-pyridin-4-ylethyl]amino]ethanol
CID 81410736
methyl 2-[[2-hydroxy-2-(4-propan-2-ylphenyl)ethyl]amino]propanoate
CID 61499553
1-[2-(4-fluorophenyl)-2-hydroxyethyl]-3-(1-phenylethyl)urea
CID 110893367

Frequently Asked Questions

What is the IUPAC name of 2-[[2-(4-fluorophenyl)-2-hydroxyethyl]amino]propanoic acid?
The IUPAC name of 2-[[2-(4-fluorophenyl)-2-hydroxyethyl]amino]propanoic acid (CID 82313061) is 2-[[2-(4-fluorophenyl)-2-hydroxyethyl]amino]propanoic acid.
What is the SMILES notation for 2-[[2-(4-fluorophenyl)-2-hydroxyethyl]amino]propanoic acid?
The canonical SMILES for 2-[[2-(4-fluorophenyl)-2-hydroxyethyl]amino]propanoic acid is CC(NCC(O)c1ccc(F)cc1)C(=O)O.
What is the InChIKey of 2-[[2-(4-fluorophenyl)-2-hydroxyethyl]amino]propanoic acid?
The InChIKey is DTNJQDJYOQYQOK-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H14FNO3/c1-7(11(15)16)13-6-10(14)8-2-4-9(12)5-3-8/h2-5,7,10,13-14H,6H2,1H3,(H,15,16).
What are the key properties of 2-[[2-(4-fluorophenyl)-2-hydroxyethyl]amino]propanoic acid?
2-[[2-(4-fluorophenyl)-2-hydroxyethyl]amino]propanoic acid has a molecular weight of 227.24 g/mol, XLogP of 0.92, 5 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[2-(4-fluorophenyl)-2-hydroxyethyl]amino]propanoic acid is sourced from PubChem (CID 82313061), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).