5-(4-aminobutanoylamino)-2-fluorobenzoic acid

C11H13FN2O3 — CID 43712178

IUPAC5-(4-aminobutanoylamino)-2-fluorobenzoic acid
SMILESNCCCC(=O)Nc1ccc(F)c(C(=O)O)c1
InChIInChI=1S/C11H13FN2O3/c12-9-4-3-7(6-8(9)11(16)17)14-10(15)2-1-5-13/h3-4,6H,1-2,5,13H2,(H,14,15)(H,16,17)
InChIKeyJLNKTXLQOWBQHF-UHFFFAOYSA-N
MW240.23 g/mol
LogP1.20
Rot. Bonds5

About 5-(4-aminobutanoylamino)-2-fluorobenzoic acid

5-(4-aminobutanoylamino)-2-fluorobenzoic acid (PubChem CID 43712178) has the molecular formula C11H13FN2O3 and a molecular weight of 240.23 g/mol. Its IUPAC name is 5-(4-aminobutanoylamino)-2-fluorobenzoic acid.

Molecular Properties

Compound Name5-(4-aminobutanoylamino)-2-fluorobenzoic acid
PubChem CID43712178
Molecular FormulaC11H13FN2O3
Molecular Weight240.23 g/mol
Exact Mass240.09
IUPAC Name5-(4-aminobutanoylamino)-2-fluorobenzoic acid
SMILESNCCCC(=O)Nc1ccc(F)c(C(=O)O)c1
InChIInChI=1S/C11H13FN2O3/c12-9-4-3-7(6-8(9)11(16)17)14-10(15)2-1-5-13/h3-4,6H,1-2,5,13H2,(H,14,15)(H,16,17)
InChIKeyJLNKTXLQOWBQHF-UHFFFAOYSA-N
XLogP1.20
TPSA92.42 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500240.23
LogP ≤ 51.20
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Related Compounds

5-(4-aminobutanoylamino)-2-fluorobenzamide
CID 43706573
5-(4-aminobutanoylamino)-2-bromobenzoic acid
CID 115296408
4-amino-N-(3-chloro-4-fluorophenyl)butanamide
CID 22692197
5-(6-aminohexanoylamino)-2-chlorobenzoic acid
CID 43714090
5-(3-aminopropylcarbamoylamino)-2-fluorobenzoic acid
CID 62273492
4-amino-N-(4-fluoro-3-methylphenyl)butanamide;hydrochloride
CID 119280533
5-(7-aminoheptanoylamino)-2-methylbenzoic acid
CID 63652626
5-(4-aminobutanoylamino)-2,4-difluorobenzoic acid
CID 43696525
5-(4-aminobutanoylamino)-2-chlorobenzamide
CID 43707268
5-(4-aminobutanoylamino)-2,3-dimethylbenzoic acid
CID 63020000
2-fluoro-5-[[2-(prop-2-enylamino)acetyl]amino]benzoic acid
CID 79285678
N-(3-carbamothioyl-4-fluorophenyl)pentanamide
CID 62316646

Frequently Asked Questions

What is the IUPAC name of 5-(4-aminobutanoylamino)-2-fluorobenzoic acid?
The IUPAC name of 5-(4-aminobutanoylamino)-2-fluorobenzoic acid (CID 43712178) is 5-(4-aminobutanoylamino)-2-fluorobenzoic acid.
What is the SMILES notation for 5-(4-aminobutanoylamino)-2-fluorobenzoic acid?
The canonical SMILES for 5-(4-aminobutanoylamino)-2-fluorobenzoic acid is NCCCC(=O)Nc1ccc(F)c(C(=O)O)c1.
What is the InChIKey of 5-(4-aminobutanoylamino)-2-fluorobenzoic acid?
The InChIKey is JLNKTXLQOWBQHF-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H13FN2O3/c12-9-4-3-7(6-8(9)11(16)17)14-10(15)2-1-5-13/h3-4,6H,1-2,5,13H2,(H,14,15)(H,16,17).
What are the key properties of 5-(4-aminobutanoylamino)-2-fluorobenzoic acid?
5-(4-aminobutanoylamino)-2-fluorobenzoic acid has a molecular weight of 240.23 g/mol, XLogP of 1.20, 5 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(4-aminobutanoylamino)-2-fluorobenzoic acid is sourced from PubChem (CID 43712178), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).