3-[(4-fluorobenzoyl)amino]butanoic acid

C11H12FNO3 — CID 43240591

IUPAC3-[(4-fluorobenzoyl)amino]butanoic acid
SMILESCC(CC(=O)O)NC(=O)c1ccc(F)cc1
InChIInChI=1S/C11H12FNO3/c1-7(6-10(14)15)13-11(16)8-2-4-9(12)5-3-8/h2-5,7H,6H2,1H3,(H,13,16)(H,14,15)
InChIKeyLNJXYARVEBAELI-UHFFFAOYSA-N
MW225.22 g/mol
LogP1.42
Rot. Bonds4

About 3-[(4-fluorobenzoyl)amino]butanoic acid

3-[(4-fluorobenzoyl)amino]butanoic acid (PubChem CID 43240591) has the molecular formula C11H12FNO3 and a molecular weight of 225.22 g/mol. Its IUPAC name is 3-[(4-fluorobenzoyl)amino]butanoic acid.

Molecular Properties

Compound Name3-[(4-fluorobenzoyl)amino]butanoic acid
PubChem CID43240591
Molecular FormulaC11H12FNO3
Molecular Weight225.22 g/mol
Exact Mass225.08
IUPAC Name3-[(4-fluorobenzoyl)amino]butanoic acid
SMILESCC(CC(=O)O)NC(=O)c1ccc(F)cc1
InChIInChI=1S/C11H12FNO3/c1-7(6-10(14)15)13-11(16)8-2-4-9(12)5-3-8/h2-5,7H,6H2,1H3,(H,13,16)(H,14,15)
InChIKeyLNJXYARVEBAELI-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-iodobenzoyl)amino]butanoic acid
CID 43240598
3-[(4-tert-butylbenzoyl)amino]butanoic acid
CID 18370033
3-[(3-fluorobenzoyl)amino]butanoic acid
CID 43240622
4-fluoro-N-hexan-2-ylbenzamide
CID 62199480
4-fluoro-N-(4-oxobutan-2-yl)benzamide
CID 58870084
(3R)-3-[[4-(difluoromethoxy)benzoyl]amino]butanoic acid
CID 9454173
3-[[4-(difluoromethylsulfanyl)benzoyl]amino]butanoic acid
CID 119221139
4-fluoro-N-pent-4-en-2-ylbenzamide
CID 115631330
3-[(4-fluorobenzoyl)amino]-3-(4-fluorophenyl)propanoic acid
CID 4558174
N-[4-[(4-fluorophenyl)methylamino]-4-oxobutan-2-yl]benzamide
CID 51195280
3-[(3,4-dimethylbenzoyl)amino]butanoic acid
CID 18370046
2-[[1-(4-fluorophenyl)-1-oxopropan-2-yl]amino]acetic acid
CID 82100437

Frequently Asked Questions

What is the IUPAC name of 3-[(4-fluorobenzoyl)amino]butanoic acid?
The IUPAC name of 3-[(4-fluorobenzoyl)amino]butanoic acid (CID 43240591) is 3-[(4-fluorobenzoyl)amino]butanoic acid.
What is the SMILES notation for 3-[(4-fluorobenzoyl)amino]butanoic acid?
The canonical SMILES for 3-[(4-fluorobenzoyl)amino]butanoic acid is CC(CC(=O)O)NC(=O)c1ccc(F)cc1.
What is the InChIKey of 3-[(4-fluorobenzoyl)amino]butanoic acid?
The InChIKey is LNJXYARVEBAELI-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H12FNO3/c1-7(6-10(14)15)13-11(16)8-2-4-9(12)5-3-8/h2-5,7H,6H2,1H3,(H,13,16)(H,14,15).
What are the key properties of 3-[(4-fluorobenzoyl)amino]butanoic acid?
3-[(4-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-[(4-fluorobenzoyl)amino]butanoic acid is sourced from PubChem (CID 43240591), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).