4-amino-5-oxo-5-(2,3,5,6-tetrafluoroanilino)pentanoic acid

C11H10F4N2O3 — CID 107641748

IUPAC4-amino-5-oxo-5-(2,3,5,6-tetrafluoroanilino)pentanoic acid
SMILESNC(CCC(=O)O)C(=O)Nc1c(F)c(F)cc(F)c1F
InChIInChI=1S/C11H10F4N2O3/c12-4-3-5(13)9(15)10(8(4)14)17-11(20)6(16)1-2-7(18)19/h3,6H,1-2,16H2,(H,17,20)(H,18,19)
InChIKeySHCGTFSFCIYHRS-UHFFFAOYSA-N
MW294.20 g/mol
LogP1.37
Rot. Bonds5

About 4-amino-5-oxo-5-(2,3,5,6-tetrafluoroanilino)pentanoic acid

4-amino-5-oxo-5-(2,3,5,6-tetrafluoroanilino)pentanoic acid (PubChem CID 107641748) has the molecular formula C11H10F4N2O3 and a molecular weight of 294.20 g/mol. Its IUPAC name is 4-amino-5-oxo-5-(2,3,5,6-tetrafluoroanilino)pentanoic acid.

Molecular Properties

Compound Name4-amino-5-oxo-5-(2,3,5,6-tetrafluoroanilino)pentanoic acid
PubChem CID107641748
Molecular FormulaC11H10F4N2O3
Molecular Weight294.20 g/mol
Exact Mass294.06
IUPAC Name4-amino-5-oxo-5-(2,3,5,6-tetrafluoroanilino)pentanoic acid
SMILESNC(CCC(=O)O)C(=O)Nc1c(F)c(F)cc(F)c1F
InChIInChI=1S/C11H10F4N2O3/c12-4-3-5(13)9(15)10(8(4)14)17-11(20)6(16)1-2-7(18)19/h3,6H,1-2,16H2,(H,17,20)(H,18,19)
InChIKeySHCGTFSFCIYHRS-UHFFFAOYSA-N
XLogP1.37
TPSA92.42 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500294.20
LogP ≤ 51.37
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'halogenated_ring_1', 'substructure': 'N/A'}

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Related Compounds

(2S)-2-amino-4-methyl-N-(2,3,5,6-tetrafluorophenyl)pentanamide
CID 107641670
4-amino-5-(2-bromo-6-chloro-4-fluoroanilino)-5-oxopentanoic acid
CID 107611890
4-amino-5-(4-fluoroanilino)-5-oxopentanoic acid
CID 64895789
2,2-difluoro-N-(2,3,5,6-tetrafluorophenyl)acetamide
CID 107646145
(2R)-2-amino-3,3-dimethyl-N-(2,3,5,6-tetrafluorophenyl)butanamide
CID 107641656
4-amino-5-oxo-5-(pyrimidin-2-ylamino)pentanoic acid
CID 64895405
4-amino-5-(2-fluoro-5-nitroanilino)-5-oxopentanoic acid
CID 64896003
(2R)-2-amino-N-(2,3,4,5,6-pentafluorophenyl)pentanamide
CID 107570332
5-(4-acetamidoanilino)-4-amino-5-oxopentanoic acid
CID 64895797
4-amino-5-(2-bromo-5-chloroanilino)-5-oxopentanoic acid
CID 81270730
2-amino-N-(3,4,5-trifluorophenyl)pentanamide
CID 62814039
4-amino-5-(2-methyl-6-propan-2-ylanilino)-5-oxopentanoic acid
CID 64895201

Frequently Asked Questions

What is the IUPAC name of 4-amino-5-oxo-5-(2,3,5,6-tetrafluoroanilino)pentanoic acid?
The IUPAC name of 4-amino-5-oxo-5-(2,3,5,6-tetrafluoroanilino)pentanoic acid (CID 107641748) is 4-amino-5-oxo-5-(2,3,5,6-tetrafluoroanilino)pentanoic acid.
What is the SMILES notation for 4-amino-5-oxo-5-(2,3,5,6-tetrafluoroanilino)pentanoic acid?
The canonical SMILES for 4-amino-5-oxo-5-(2,3,5,6-tetrafluoroanilino)pentanoic acid is NC(CCC(=O)O)C(=O)Nc1c(F)c(F)cc(F)c1F.
What is the InChIKey of 4-amino-5-oxo-5-(2,3,5,6-tetrafluoroanilino)pentanoic acid?
The InChIKey is SHCGTFSFCIYHRS-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H10F4N2O3/c12-4-3-5(13)9(15)10(8(4)14)17-11(20)6(16)1-2-7(18)19/h3,6H,1-2,16H2,(H,17,20)(H,18,19).
What are the key properties of 4-amino-5-oxo-5-(2,3,5,6-tetrafluoroanilino)pentanoic acid?
4-amino-5-oxo-5-(2,3,5,6-tetrafluoroanilino)pentanoic acid has a molecular weight of 294.20 g/mol, XLogP of 1.37, 5 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-amino-5-oxo-5-(2,3,5,6-tetrafluoroanilino)pentanoic acid is sourced from PubChem (CID 107641748), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).