3-[(3-fluorobenzoyl)amino]butanoic acid

C11H12FNO3 — CID 43240622

IUPAC3-[(3-fluorobenzoyl)amino]butanoic acid
SMILESCC(CC(=O)O)NC(=O)c1cccc(F)c1
InChIInChI=1S/C11H12FNO3/c1-7(5-10(14)15)13-11(16)8-3-2-4-9(12)6-8/h2-4,6-7H,5H2,1H3,(H,13,16)(H,14,15)
InChIKeyGGSPMXBTLPUZDQ-UHFFFAOYSA-N
MW225.22 g/mol
LogP1.42
Rot. Bonds4

About 3-[(3-fluorobenzoyl)amino]butanoic acid

3-[(3-fluorobenzoyl)amino]butanoic acid (PubChem CID 43240622) has the molecular formula C11H12FNO3 and a molecular weight of 225.22 g/mol. Its IUPAC name is 3-[(3-fluorobenzoyl)amino]butanoic acid.

Molecular Properties

Compound Name3-[(3-fluorobenzoyl)amino]butanoic acid
PubChem CID43240622
Molecular FormulaC11H12FNO3
Molecular Weight225.22 g/mol
Exact Mass225.08
IUPAC Name3-[(3-fluorobenzoyl)amino]butanoic acid
SMILESCC(CC(=O)O)NC(=O)c1cccc(F)c1
InChIInChI=1S/C11H12FNO3/c1-7(5-10(14)15)13-11(16)8-3-2-4-9(12)6-8/h2-4,6-7H,5H2,1H3,(H,13,16)(H,14,15)
InChIKeyGGSPMXBTLPUZDQ-UHFFFAOYSA-N
XLogP1.42
TPSA66.40 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500225.22
LogP ≤ 51.42
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

3-[(4-fluorobenzoyl)amino]butanoic acid
CID 43240591
3-[(3-methoxybenzoyl)amino]butanoic acid
CID 43092439
methyl 3-[[2-[(3-fluorobenzoyl)amino]acetyl]amino]butanoate
CID 78825239
3-[[3-(propylcarbamoyl)benzoyl]amino]butanoic acid
CID 119220692
3-[(3-ethoxybenzoyl)amino]butanoic acid
CID 119221439
2-[(3-fluorobenzoyl)amino]-3-methylpentanoic acid
CID 16774745
(3S)-3-[[(2S)-2-(3-fluorophenyl)propanoyl]amino]butanoic acid
CID 97234251
N-(1-bromo-3-methylbutan-2-yl)-3-fluorobenzamide
CID 114315995
N-but-3-yn-2-yl-3-fluorobenzamide
CID 114389984
4-amino-2-[(3-fluorobenzoyl)amino]-4-oxobutanoic acid
CID 16772747
3-[(3,4-dimethylbenzoyl)amino]butanoic acid
CID 18370046
3-fluoro-N-[(2R)-1-hydroxybutan-2-yl]benzamide
CID 40538169

Frequently Asked Questions

What is the IUPAC name of 3-[(3-fluorobenzoyl)amino]butanoic acid?
The IUPAC name of 3-[(3-fluorobenzoyl)amino]butanoic acid (CID 43240622) is 3-[(3-fluorobenzoyl)amino]butanoic acid.
What is the SMILES notation for 3-[(3-fluorobenzoyl)amino]butanoic acid?
The canonical SMILES for 3-[(3-fluorobenzoyl)amino]butanoic acid is CC(CC(=O)O)NC(=O)c1cccc(F)c1.
What is the InChIKey of 3-[(3-fluorobenzoyl)amino]butanoic acid?
The InChIKey is GGSPMXBTLPUZDQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H12FNO3/c1-7(5-10(14)15)13-11(16)8-3-2-4-9(12)6-8/h2-4,6-7H,5H2,1H3,(H,13,16)(H,14,15).
What are the key properties of 3-[(3-fluorobenzoyl)amino]butanoic acid?
3-[(3-fluorobenzoyl)amino]butanoic acid has a molecular weight of 225.22 g/mol, XLogP of 1.42, 4 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(3-fluorobenzoyl)amino]butanoic acid is sourced from PubChem (CID 43240622), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).