2-(4-amino-2-fluorobenzoyl)oxypentanoic acid

C12H14FNO4 — CID 83048771

IUPAC2-(4-amino-2-fluorobenzoyl)oxypentanoic acid
SMILESCCCC(OC(=O)c1ccc(N)cc1F)C(=O)O
InChIInChI=1S/C12H14FNO4/c1-2-3-10(11(15)16)18-12(17)8-5-4-7(14)6-9(8)13/h4-6,10H,2-3,14H2,1H3,(H,15,16)
InChIKeyQSWWKGPWCKFDHQ-UHFFFAOYSA-N
MW255.24 g/mol
LogP1.82
Rot. Bonds5

About 2-(4-amino-2-fluorobenzoyl)oxypentanoic acid

2-(4-amino-2-fluorobenzoyl)oxypentanoic acid (PubChem CID 83048771) has the molecular formula C12H14FNO4 and a molecular weight of 255.24 g/mol. Its IUPAC name is 2-(4-amino-2-fluorobenzoyl)oxypentanoic acid.

Molecular Properties

Compound Name2-(4-amino-2-fluorobenzoyl)oxypentanoic acid
PubChem CID83048771
Molecular FormulaC12H14FNO4
Molecular Weight255.24 g/mol
Exact Mass255.09
IUPAC Name2-(4-amino-2-fluorobenzoyl)oxypentanoic acid
SMILESCCCC(OC(=O)c1ccc(N)cc1F)C(=O)O
InChIInChI=1S/C12H14FNO4/c1-2-3-10(11(15)16)18-12(17)8-5-4-7(14)6-9(8)13/h4-6,10H,2-3,14H2,1H3,(H,15,16)
InChIKeyQSWWKGPWCKFDHQ-UHFFFAOYSA-N
XLogP1.82
TPSA89.62 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500255.24
LogP ≤ 51.82
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aniline', 'substructure': 'N/A'}

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Related Compounds

2-(4-amino-2-fluorobenzoyl)oxybutanoic acid
CID 64661191
2-(5-amino-2-fluorobenzoyl)oxybutanoic acid
CID 64662604
2-(3,5-diaminobenzoyl)oxypentanoic acid
CID 83048881
(1-ethoxy-1-oxopentan-2-yl) 5-amino-2,4-difluorobenzoate
CID 83039780
2-(5-amino-2,4-dimethylbenzoyl)oxypentanoic acid
CID 102706169
2-(4-amino-2-chlorobenzoyl)oxybutanoic acid
CID 64662601
nonyl 4-amino-2-fluorobenzoate
CID 63450769
2-propoxyethyl 4-amino-2-fluorobenzoate
CID 55231855
2-(3-amino-4-chlorobenzoyl)oxypentanoic acid
CID 83049782
carbamoyl 4-amino-2-fluorobenzoate
CID 88539668
2-[(4-amino-2-fluorobenzoyl)-methylamino]butanoic acid
CID 103871049
1-(4-amino-2-fluorophenyl)ethanone
CID 14621110

Frequently Asked Questions

What is the IUPAC name of 2-(4-amino-2-fluorobenzoyl)oxypentanoic acid?
The IUPAC name of 2-(4-amino-2-fluorobenzoyl)oxypentanoic acid (CID 83048771) is 2-(4-amino-2-fluorobenzoyl)oxypentanoic acid.
What is the SMILES notation for 2-(4-amino-2-fluorobenzoyl)oxypentanoic acid?
The canonical SMILES for 2-(4-amino-2-fluorobenzoyl)oxypentanoic acid is CCCC(OC(=O)c1ccc(N)cc1F)C(=O)O.
What is the InChIKey of 2-(4-amino-2-fluorobenzoyl)oxypentanoic acid?
The InChIKey is QSWWKGPWCKFDHQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H14FNO4/c1-2-3-10(11(15)16)18-12(17)8-5-4-7(14)6-9(8)13/h4-6,10H,2-3,14H2,1H3,(H,15,16).
What are the key properties of 2-(4-amino-2-fluorobenzoyl)oxypentanoic acid?
2-(4-amino-2-fluorobenzoyl)oxypentanoic acid has a molecular weight of 255.24 g/mol, XLogP of 1.82, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-amino-2-fluorobenzoyl)oxypentanoic acid is sourced from PubChem (CID 83048771), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).