2-[[1-(4-fluorophenyl)-1-oxopropan-2-yl]amino]acetic acid

C11H12FNO3 — CID 82100437

IUPAC2-[[1-(4-fluorophenyl)-1-oxopropan-2-yl]amino]acetic acid
SMILESCC(NCC(=O)O)C(=O)c1ccc(F)cc1
InChIInChI=1S/C11H12FNO3/c1-7(13-6-10(14)15)11(16)8-2-4-9(12)5-3-8/h2-5,7,13H,6H2,1H3,(H,14,15)
InChIKeyWLKNYGOWWNERQR-UHFFFAOYSA-N
MW225.22 g/mol
LogP1.07
Rot. Bonds5

About 2-[[1-(4-fluorophenyl)-1-oxopropan-2-yl]amino]acetic acid

2-[[1-(4-fluorophenyl)-1-oxopropan-2-yl]amino]acetic acid (PubChem CID 82100437) has the molecular formula C11H12FNO3 and a molecular weight of 225.22 g/mol. Its IUPAC name is 2-[[1-(4-fluorophenyl)-1-oxopropan-2-yl]amino]acetic acid.

Molecular Properties

Compound Name2-[[1-(4-fluorophenyl)-1-oxopropan-2-yl]amino]acetic acid
PubChem CID82100437
Molecular FormulaC11H12FNO3
Molecular Weight225.22 g/mol
Exact Mass225.08
IUPAC Name2-[[1-(4-fluorophenyl)-1-oxopropan-2-yl]amino]acetic acid
SMILESCC(NCC(=O)O)C(=O)c1ccc(F)cc1
InChIInChI=1S/C11H12FNO3/c1-7(13-6-10(14)15)11(16)8-2-4-9(12)5-3-8/h2-5,7,13H,6H2,1H3,(H,14,15)
InChIKeyWLKNYGOWWNERQR-UHFFFAOYSA-N
XLogP1.07
TPSA66.40 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500225.22
LogP ≤ 51.07
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

2-(benzylamino)-1-(4-fluorophenyl)propan-1-one
CID 82100447
3-[(4-fluorobenzoyl)amino]butanoic acid
CID 43240591
2-[2-(dimethylamino)ethylamino]-1-(4-fluorophenyl)propan-1-one
CID 82100482
1-(4-ethylphenyl)-2-[(4-fluorophenyl)methylamino]propan-1-one
CID 82100239
2-[[1-oxo-1-(2-oxo-1,3-dihydroindol-5-yl)propan-2-yl]amino]acetic acid
CID 82485441
(3S)-3-[(4-fluorophenyl)methylamino]butanoic acid
CID 69228997
1-(4-aminophenyl)-2-[2-(4-fluorophenyl)ethylamino]propan-1-one
CID 82258109
1-(4-fluorophenyl)-2-hydroxy-3-(propan-2-ylamino)propan-1-one
CID 165448441
(2S)-1-(4-fluorophenyl)-2,3-dimethylbutan-1-one
CID 143361678
2-(carboxymethylamino)propanoic acid
CID 2764308
2-[[1-(1-acetyl-2,3-dihydroindol-5-yl)-1-oxopropan-2-yl]amino]acetic acid
CID 82100949
4-[[1-(4-methylphenyl)-1-oxopropan-2-yl]amino]butanoic acid
CID 82100127

Frequently Asked Questions

What is the IUPAC name of 2-[[1-(4-fluorophenyl)-1-oxopropan-2-yl]amino]acetic acid?
The IUPAC name of 2-[[1-(4-fluorophenyl)-1-oxopropan-2-yl]amino]acetic acid (CID 82100437) is 2-[[1-(4-fluorophenyl)-1-oxopropan-2-yl]amino]acetic acid.
What is the SMILES notation for 2-[[1-(4-fluorophenyl)-1-oxopropan-2-yl]amino]acetic acid?
The canonical SMILES for 2-[[1-(4-fluorophenyl)-1-oxopropan-2-yl]amino]acetic acid is CC(NCC(=O)O)C(=O)c1ccc(F)cc1.
What is the InChIKey of 2-[[1-(4-fluorophenyl)-1-oxopropan-2-yl]amino]acetic acid?
The InChIKey is WLKNYGOWWNERQR-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H12FNO3/c1-7(13-6-10(14)15)11(16)8-2-4-9(12)5-3-8/h2-5,7,13H,6H2,1H3,(H,14,15).
What are the key properties of 2-[[1-(4-fluorophenyl)-1-oxopropan-2-yl]amino]acetic acid?
2-[[1-(4-fluorophenyl)-1-oxopropan-2-yl]amino]acetic acid has a molecular weight of 225.22 g/mol, XLogP of 1.07, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[1-(4-fluorophenyl)-1-oxopropan-2-yl]amino]acetic acid is sourced from PubChem (CID 82100437), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).