5-oxo-5-[3-(trifluoromethoxy)anilino]pentanoic acid

C12H12F3NO4 — CID 43420046

IUPAC5-oxo-5-[3-(trifluoromethoxy)anilino]pentanoic acid
SMILESO=C(O)CCCC(=O)Nc1cccc(OC(F)(F)F)c1
InChIInChI=1S/C12H12F3NO4/c13-12(14,15)20-9-4-1-3-8(7-9)16-10(17)5-2-6-11(18)19/h1,3-4,7H,2,5-6H2,(H,16,17)(H,18,19)
InChIKeyWPVZTMQXBYOWGT-UHFFFAOYSA-N
MW291.22 g/mol
LogP2.78
Rot. Bonds6

About 5-oxo-5-[3-(trifluoromethoxy)anilino]pentanoic acid

5-oxo-5-[3-(trifluoromethoxy)anilino]pentanoic acid (PubChem CID 43420046) has the molecular formula C12H12F3NO4 and a molecular weight of 291.22 g/mol. Its IUPAC name is 5-oxo-5-[3-(trifluoromethoxy)anilino]pentanoic acid.

Molecular Properties

Compound Name5-oxo-5-[3-(trifluoromethoxy)anilino]pentanoic acid
PubChem CID43420046
Molecular FormulaC12H12F3NO4
Molecular Weight291.22 g/mol
Exact Mass291.07
IUPAC Name5-oxo-5-[3-(trifluoromethoxy)anilino]pentanoic acid
SMILESO=C(O)CCCC(=O)Nc1cccc(OC(F)(F)F)c1
InChIInChI=1S/C12H12F3NO4/c13-12(14,15)20-9-4-1-3-8(7-9)16-10(17)5-2-6-11(18)19/h1,3-4,7H,2,5-6H2,(H,16,17)(H,18,19)
InChIKeyWPVZTMQXBYOWGT-UHFFFAOYSA-N
XLogP2.78
TPSA75.63 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500291.22
LogP ≤ 52.78
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

4-(propan-2-ylamino)-N-[3-(trifluoromethoxy)phenyl]butanamide
CID 60850049
6-(dimethylamino)-N-[3-(trifluoromethoxy)phenyl]hexanamide
CID 167849259
5-(carbamoylamino)-N-[3-(trifluoromethoxy)phenyl]pentanamide
CID 38207270
2-methoxy-N-[3-(trifluoromethoxy)phenyl]acetamide
CID 60725062
5-oxo-5-(3-propan-2-yloxyanilino)pentanoic acid
CID 17154732
3-(4-carboxybutanoylamino)benzoic acid
CID 735327
6-(3-ethoxyanilino)-6-oxohexanoic acid
CID 54866810
2,2,2-trifluoro-N-[3-(trifluoromethoxy)phenyl]acetamide
CID 62489908
2-[methyl-[[3-(trifluoromethoxy)phenyl]carbamoyl]amino]acetic acid
CID 43318577
tert-butyl N-[3-oxo-3-[3-(trifluoromethoxy)anilino]propyl]carbamate
CID 38207855
2-(2,2,2-trifluoroethylamino)-N-[3-(trifluoromethoxy)phenyl]acetamide
CID 78924197
3-(4-cyanophenyl)-N-[3-(trifluoromethoxy)phenyl]propanamide
CID 38034874

Frequently Asked Questions

What is the IUPAC name of 5-oxo-5-[3-(trifluoromethoxy)anilino]pentanoic acid?
The IUPAC name of 5-oxo-5-[3-(trifluoromethoxy)anilino]pentanoic acid (CID 43420046) is 5-oxo-5-[3-(trifluoromethoxy)anilino]pentanoic acid.
What is the SMILES notation for 5-oxo-5-[3-(trifluoromethoxy)anilino]pentanoic acid?
The canonical SMILES for 5-oxo-5-[3-(trifluoromethoxy)anilino]pentanoic acid is O=C(O)CCCC(=O)Nc1cccc(OC(F)(F)F)c1.
What is the InChIKey of 5-oxo-5-[3-(trifluoromethoxy)anilino]pentanoic acid?
The InChIKey is WPVZTMQXBYOWGT-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H12F3NO4/c13-12(14,15)20-9-4-1-3-8(7-9)16-10(17)5-2-6-11(18)19/h1,3-4,7H,2,5-6H2,(H,16,17)(H,18,19).
What are the key properties of 5-oxo-5-[3-(trifluoromethoxy)anilino]pentanoic acid?
5-oxo-5-[3-(trifluoromethoxy)anilino]pentanoic acid has a molecular weight of 291.22 g/mol, XLogP of 2.78, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-oxo-5-[3-(trifluoromethoxy)anilino]pentanoic acid is sourced from PubChem (CID 43420046), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).