2-[(2-fluorobenzoyl)amino]-4-hydroxybutanoic acid

C11H12FNO4 — CID 61242891

IUPAC2-[(2-fluorobenzoyl)amino]-4-hydroxybutanoic acid
SMILESO=C(NC(CCO)C(=O)O)c1ccccc1F
InChIInChI=1S/C11H12FNO4/c12-8-4-2-1-3-7(8)10(15)13-9(5-6-14)11(16)17/h1-4,9,14H,5-6H2,(H,13,15)(H,16,17)
InChIKeyKSHGSSSFCDSSNT-UHFFFAOYSA-N
MW241.22 g/mol
LogP0.39
Rot. Bonds5

About 2-[(2-fluorobenzoyl)amino]-4-hydroxybutanoic acid

2-[(2-fluorobenzoyl)amino]-4-hydroxybutanoic acid (PubChem CID 61242891) has the molecular formula C11H12FNO4 and a molecular weight of 241.22 g/mol. Its IUPAC name is 2-[(2-fluorobenzoyl)amino]-4-hydroxybutanoic acid.

Molecular Properties

Compound Name2-[(2-fluorobenzoyl)amino]-4-hydroxybutanoic acid
PubChem CID61242891
Molecular FormulaC11H12FNO4
Molecular Weight241.22 g/mol
Exact Mass241.08
IUPAC Name2-[(2-fluorobenzoyl)amino]-4-hydroxybutanoic acid
SMILESO=C(NC(CCO)C(=O)O)c1ccccc1F
InChIInChI=1S/C11H12FNO4/c12-8-4-2-1-3-7(8)10(15)13-9(5-6-14)11(16)17/h1-4,9,14H,5-6H2,(H,13,15)(H,16,17)
InChIKeyKSHGSSSFCDSSNT-UHFFFAOYSA-N
XLogP0.39
TPSA86.63 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500241.22
LogP ≤ 50.39
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Related Compounds

(2S)-2-[(2-fluorobenzoyl)amino]-4-sulfanylbutanoic acid
CID 142708958
(2S)-2-[(2-chloro-3-fluorobenzoyl)amino]-4-hydroxybutanoic acid
CID 114004822
2-[(2-fluorobenzoyl)amino]-3-sulfanylpropanoic acid
CID 16778206
(2R)-4-hydroxy-2-[(2-methylsulfanylbenzoyl)amino]butanoic acid
CID 107823547
(2S)-4-hydroxy-2-[(2-methylsulfanylbenzoyl)amino]butanoic acid
CID 114004889
(2S)-4-hydroxy-2-[(2,3,4-trifluorobenzoyl)amino]butanoic acid
CID 107822093
(2R)-2-[[2-(difluoromethylsulfanyl)benzoyl]amino]-4-hydroxybutanoic acid
CID 107823709
(2S)-2-[[2-fluoro-5-(trifluoromethyl)benzoyl]amino]-4-hydroxybutanoic acid
CID 107821699
2-[[2-(2-fluorophenyl)acetyl]amino]-4-hydroxybutanoic acid
CID 61244543
(2R)-2-[(2,3-dimethylbenzoyl)amino]-4-hydroxybutanoic acid
CID 107823072
4-hydroxy-2-[[2-(methoxymethyl)benzoyl]amino]butanoic acid
CID 61243092
(2R)-2-[(2-ethylsulfonylbenzoyl)amino]-4-hydroxybutanoic acid
CID 107822726

Frequently Asked Questions

What is the IUPAC name of 2-[(2-fluorobenzoyl)amino]-4-hydroxybutanoic acid?
The IUPAC name of 2-[(2-fluorobenzoyl)amino]-4-hydroxybutanoic acid (CID 61242891) is 2-[(2-fluorobenzoyl)amino]-4-hydroxybutanoic acid.
What is the SMILES notation for 2-[(2-fluorobenzoyl)amino]-4-hydroxybutanoic acid?
The canonical SMILES for 2-[(2-fluorobenzoyl)amino]-4-hydroxybutanoic acid is O=C(NC(CCO)C(=O)O)c1ccccc1F.
What is the InChIKey of 2-[(2-fluorobenzoyl)amino]-4-hydroxybutanoic acid?
The InChIKey is KSHGSSSFCDSSNT-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H12FNO4/c12-8-4-2-1-3-7(8)10(15)13-9(5-6-14)11(16)17/h1-4,9,14H,5-6H2,(H,13,15)(H,16,17).
What are the key properties of 2-[(2-fluorobenzoyl)amino]-4-hydroxybutanoic acid?
2-[(2-fluorobenzoyl)amino]-4-hydroxybutanoic acid has a molecular weight of 241.22 g/mol, XLogP of 0.39, 5 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(2-fluorobenzoyl)amino]-4-hydroxybutanoic acid is sourced from PubChem (CID 61242891), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).