2-[[2-(2-fluorophenyl)acetyl]amino]-4-hydroxybutanoic acid

C12H14FNO4 — CID 61244543

IUPAC2-[[2-(2-fluorophenyl)acetyl]amino]-4-hydroxybutanoic acid
SMILESO=C(Cc1ccccc1F)NC(CCO)C(=O)O
InChIInChI=1S/C12H14FNO4/c13-9-4-2-1-3-8(9)7-11(16)14-10(5-6-15)12(17)18/h1-4,10,15H,5-7H2,(H,14,16)(H,17,18)
InChIKeyUOALFEGNBXLITN-UHFFFAOYSA-N
MW255.24 g/mol
LogP0.32
Rot. Bonds6

About 2-[[2-(2-fluorophenyl)acetyl]amino]-4-hydroxybutanoic acid

2-[[2-(2-fluorophenyl)acetyl]amino]-4-hydroxybutanoic acid (PubChem CID 61244543) has the molecular formula C12H14FNO4 and a molecular weight of 255.24 g/mol. Its IUPAC name is 2-[[2-(2-fluorophenyl)acetyl]amino]-4-hydroxybutanoic acid.

Molecular Properties

Compound Name2-[[2-(2-fluorophenyl)acetyl]amino]-4-hydroxybutanoic acid
PubChem CID61244543
Molecular FormulaC12H14FNO4
Molecular Weight255.24 g/mol
Exact Mass255.09
IUPAC Name2-[[2-(2-fluorophenyl)acetyl]amino]-4-hydroxybutanoic acid
SMILESO=C(Cc1ccccc1F)NC(CCO)C(=O)O
InChIInChI=1S/C12H14FNO4/c13-9-4-2-1-3-8(9)7-11(16)14-10(5-6-15)12(17)18/h1-4,10,15H,5-7H2,(H,14,16)(H,17,18)
InChIKeyUOALFEGNBXLITN-UHFFFAOYSA-N
XLogP0.32
TPSA86.63 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500255.24
LogP ≤ 50.32
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Related Compounds

(2R)-2-[[2-(2,6-difluorophenyl)acetyl]amino]-4-hydroxybutanoic acid
CID 107822798
4-hydroxy-2-[[2-(2-hydroxyphenyl)acetyl]amino]butanoic acid
CID 80741384
(2R)-2-[[2-(2,4-difluorophenyl)acetyl]amino]-4-hydroxybutanoic acid
CID 107823047
2-[[2-(2-fluorophenyl)acetyl]amino]-4-methylsulfanylbutanoic acid
CID 16785909
2-[[2-(2-fluorophenyl)acetyl]amino]-4-methylsulfonylbutanoic acid
CID 43101856
(2R)-2-[[2-(2-fluorophenyl)acetyl]amino]-4-methylpentanoic acid
CID 30115441
(2R)-4-hydroxy-2-[(2-naphthalen-1-ylacetyl)amino]butanoic acid
CID 107823520
(2R)-2-[[2-(2-fluorophenyl)acetyl]amino]propanoic acid
CID 30120740
2-[[2-(2-fluorophenyl)acetyl]amino]-3-sulfopropanoic acid
CID 89123607
(2S)-2-[[2-(2-fluorophenyl)acetyl]amino]-4-methoxy-4-oxobutanoic acid
CID 63303756
(E)-2-[[2-(2-fluorophenyl)acetyl]amino]hex-4-enoic acid
CID 120693171
2-[(2-fluorobenzoyl)amino]-4-hydroxybutanoic acid
CID 61242891

Frequently Asked Questions

What is the IUPAC name of 2-[[2-(2-fluorophenyl)acetyl]amino]-4-hydroxybutanoic acid?
The IUPAC name of 2-[[2-(2-fluorophenyl)acetyl]amino]-4-hydroxybutanoic acid (CID 61244543) is 2-[[2-(2-fluorophenyl)acetyl]amino]-4-hydroxybutanoic acid.
What is the SMILES notation for 2-[[2-(2-fluorophenyl)acetyl]amino]-4-hydroxybutanoic acid?
The canonical SMILES for 2-[[2-(2-fluorophenyl)acetyl]amino]-4-hydroxybutanoic acid is O=C(Cc1ccccc1F)NC(CCO)C(=O)O.
What is the InChIKey of 2-[[2-(2-fluorophenyl)acetyl]amino]-4-hydroxybutanoic acid?
The InChIKey is UOALFEGNBXLITN-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H14FNO4/c13-9-4-2-1-3-8(9)7-11(16)14-10(5-6-15)12(17)18/h1-4,10,15H,5-7H2,(H,14,16)(H,17,18).
What are the key properties of 2-[[2-(2-fluorophenyl)acetyl]amino]-4-hydroxybutanoic acid?
2-[[2-(2-fluorophenyl)acetyl]amino]-4-hydroxybutanoic acid has a molecular weight of 255.24 g/mol, XLogP of 0.32, 6 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[2-(2-fluorophenyl)acetyl]amino]-4-hydroxybutanoic acid is sourced from PubChem (CID 61244543), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).