5-amino-3-(4-fluorobenzoyl)pentanoic acid

C12H14FNO3 — CID 171115074

IUPAC5-amino-3-(4-fluorobenzoyl)pentanoic acid
SMILESNCCC(CC(=O)O)C(=O)c1ccc(F)cc1
InChIInChI=1S/C12H14FNO3/c13-10-3-1-8(2-4-10)12(17)9(5-6-14)7-11(15)16/h1-4,9H,5-7,14H2,(H,15,16)
InChIKeyBUGUYGLOFACNCG-UHFFFAOYSA-N
MW239.25 g/mol
LogP1.45
Rot. Bonds6

About 5-amino-3-(4-fluorobenzoyl)pentanoic acid

5-amino-3-(4-fluorobenzoyl)pentanoic acid (PubChem CID 171115074) has the molecular formula C12H14FNO3 and a molecular weight of 239.25 g/mol. Its IUPAC name is 5-amino-3-(4-fluorobenzoyl)pentanoic acid.

Molecular Properties

Compound Name5-amino-3-(4-fluorobenzoyl)pentanoic acid
PubChem CID171115074
Molecular FormulaC12H14FNO3
Molecular Weight239.25 g/mol
Exact Mass239.10
IUPAC Name5-amino-3-(4-fluorobenzoyl)pentanoic acid
SMILESNCCC(CC(=O)O)C(=O)c1ccc(F)cc1
InChIInChI=1S/C12H14FNO3/c13-10-3-1-8(2-4-10)12(17)9(5-6-14)7-11(15)16/h1-4,9H,5-7,14H2,(H,15,16)
InChIKeyBUGUYGLOFACNCG-UHFFFAOYSA-N
XLogP1.45
TPSA80.39 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500239.25
LogP ≤ 51.45
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

3-[[bis(prop-2-enyl)amino]methyl]-4-(4-fluorophenyl)-4-oxobutanoic acid
CID 82098864
4-(4-fluorophenyl)-3-[[2-hydroxyethyl(methyl)amino]methyl]-4-oxobutanoic acid
CID 82098898
4-amino-5-(4-fluorophenyl)-5-oxopentanoic acid
CID 82348060
3-(4-chlorobenzoyl)pentanoic acid
CID 174540259
4-[3-amino-1-(4-fluorophenyl)propyl]-N-methylbenzamide
CID 69116094
(2S)-2-amino-1-(4-fluorophenyl)butan-1-one
CID 6940476
3-[(4-fluorobenzoyl)amino]butanoic acid
CID 43240591
3-(4-methylbenzoyl)-5-(4-methylphenyl)-5-oxopentanoic acid
CID 154173226
(3R)-3-(4-fluorophenyl)-3-hydroxypropanoic acid
CID 89304540
3-[(4-fluorobenzoyl)amino]-3-(4-fluorophenyl)propanoic acid
CID 4558174
3-amino-3-[(4-fluorophenyl)methylsulfanyl]propanoic acid
CID 90694033
4-amino-2-(4-fluorophenyl)sulfinylbutanoic acid
CID 64696083

Frequently Asked Questions

What is the IUPAC name of 5-amino-3-(4-fluorobenzoyl)pentanoic acid?
The IUPAC name of 5-amino-3-(4-fluorobenzoyl)pentanoic acid (CID 171115074) is 5-amino-3-(4-fluorobenzoyl)pentanoic acid.
What is the SMILES notation for 5-amino-3-(4-fluorobenzoyl)pentanoic acid?
The canonical SMILES for 5-amino-3-(4-fluorobenzoyl)pentanoic acid is NCCC(CC(=O)O)C(=O)c1ccc(F)cc1.
What is the InChIKey of 5-amino-3-(4-fluorobenzoyl)pentanoic acid?
The InChIKey is BUGUYGLOFACNCG-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H14FNO3/c13-10-3-1-8(2-4-10)12(17)9(5-6-14)7-11(15)16/h1-4,9H,5-7,14H2,(H,15,16).
What are the key properties of 5-amino-3-(4-fluorobenzoyl)pentanoic acid?
5-amino-3-(4-fluorobenzoyl)pentanoic acid has a molecular weight of 239.25 g/mol, XLogP of 1.45, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-amino-3-(4-fluorobenzoyl)pentanoic acid is sourced from PubChem (CID 171115074), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).