5-(2-amino-5-fluoroanilino)-5-oxopentanoic acid

C11H13FN2O3 — CID 110482697

IUPAC5-(2-amino-5-fluoroanilino)-5-oxopentanoic acid
SMILESNc1ccc(F)cc1NC(=O)CCCC(=O)O
InChIInChI=1S/C11H13FN2O3/c12-7-4-5-8(13)9(6-7)14-10(15)2-1-3-11(16)17/h4-6H,1-3,13H2,(H,14,15)(H,16,17)
InChIKeyLPEILKVJXNLTCD-UHFFFAOYSA-N
MW240.23 g/mol
LogP1.60
Rot. Bonds5

About 5-(2-amino-5-fluoroanilino)-5-oxopentanoic acid

5-(2-amino-5-fluoroanilino)-5-oxopentanoic acid (PubChem CID 110482697) has the molecular formula C11H13FN2O3 and a molecular weight of 240.23 g/mol. Its IUPAC name is 5-(2-amino-5-fluoroanilino)-5-oxopentanoic acid.

Molecular Properties

Compound Name5-(2-amino-5-fluoroanilino)-5-oxopentanoic acid
PubChem CID110482697
Molecular FormulaC11H13FN2O3
Molecular Weight240.23 g/mol
Exact Mass240.09
IUPAC Name5-(2-amino-5-fluoroanilino)-5-oxopentanoic acid
SMILESNc1ccc(F)cc1NC(=O)CCCC(=O)O
InChIInChI=1S/C11H13FN2O3/c12-7-4-5-8(13)9(6-7)14-10(15)2-1-3-11(16)17/h4-6H,1-3,13H2,(H,14,15)(H,16,17)
InChIKeyLPEILKVJXNLTCD-UHFFFAOYSA-N
XLogP1.60
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 ≤ 51.60
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

5-(2-bromo-5-fluoroanilino)-5-oxopentanoic acid
CID 104573927
2-amino-N-(2-amino-5-fluorophenyl)acetamide
CID 110477650
5-(4-fluoro-2-methylanilino)-5-oxopentanoic acid
CID 17283084
5-(2-bromo-4-fluoroanilino)-5-oxopentanoic acid
CID 43529761
2-amino-N-(2-amino-5-fluorophenyl)acetamide;2-methylpropane
CID 142142758
5-(5-chloro-2-fluoroanilino)-5-oxopentanoic acid
CID 43396605
N-(2-amino-5-fluorophenyl)-2-(4-fluorophenoxy)acetamide
CID 43611984
5-[(5-fluoro-2-methylphenyl)carbamoylamino]-5-oxopentanoic acid
CID 28931858
N-(2-amino-4-fluorophenyl)-4-methoxybutanamide
CID 16785231
7-(4-fluoroanilino)-7-oxoheptanoic acid
CID 68559650
methyl 4-amino-3-[[7-(4-fluoroanilino)-7-oxoheptanoyl]amino]benzoate
CID 45255098
4-amino-N-(2,4-difluorophenyl)butanamide;hydrochloride
CID 119262959

Frequently Asked Questions

What is the IUPAC name of 5-(2-amino-5-fluoroanilino)-5-oxopentanoic acid?
The IUPAC name of 5-(2-amino-5-fluoroanilino)-5-oxopentanoic acid (CID 110482697) is 5-(2-amino-5-fluoroanilino)-5-oxopentanoic acid.
What is the SMILES notation for 5-(2-amino-5-fluoroanilino)-5-oxopentanoic acid?
The canonical SMILES for 5-(2-amino-5-fluoroanilino)-5-oxopentanoic acid is Nc1ccc(F)cc1NC(=O)CCCC(=O)O.
What is the InChIKey of 5-(2-amino-5-fluoroanilino)-5-oxopentanoic acid?
The InChIKey is LPEILKVJXNLTCD-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H13FN2O3/c12-7-4-5-8(13)9(6-7)14-10(15)2-1-3-11(16)17/h4-6H,1-3,13H2,(H,14,15)(H,16,17).
What are the key properties of 5-(2-amino-5-fluoroanilino)-5-oxopentanoic acid?
5-(2-amino-5-fluoroanilino)-5-oxopentanoic acid has a molecular weight of 240.23 g/mol, XLogP of 1.60, 5 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(2-amino-5-fluoroanilino)-5-oxopentanoic acid is sourced from PubChem (CID 110482697), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).