5-amino-5-oxo-2-(2,2,3,3-tetrafluoropropanoylamino)pentanoic acid

C8H10F4N2O4 — CID 114032465

IUPAC5-amino-5-oxo-2-(2,2,3,3-tetrafluoropropanoylamino)pentanoic acid
SMILESNC(=O)CCC(NC(=O)C(F)(F)C(F)F)C(=O)O
InChIInChI=1S/C8H10F4N2O4/c9-6(10)8(11,12)7(18)14-3(5(16)17)1-2-4(13)15/h3,6H,1-2H2,(H2,13,15)(H,14,18)(H,16,17)
InChIKeyAZHPBZGCSFYNJK-UHFFFAOYSA-N
MW274.17 g/mol
LogP-0.28
Rot. Bonds7

About 5-amino-5-oxo-2-(2,2,3,3-tetrafluoropropanoylamino)pentanoic acid

5-amino-5-oxo-2-(2,2,3,3-tetrafluoropropanoylamino)pentanoic acid (PubChem CID 114032465) has the molecular formula C8H10F4N2O4 and a molecular weight of 274.17 g/mol. Its IUPAC name is 5-amino-5-oxo-2-(2,2,3,3-tetrafluoropropanoylamino)pentanoic acid.

Molecular Properties

Compound Name5-amino-5-oxo-2-(2,2,3,3-tetrafluoropropanoylamino)pentanoic acid
PubChem CID114032465
Molecular FormulaC8H10F4N2O4
Molecular Weight274.17 g/mol
Exact Mass274.06
IUPAC Name5-amino-5-oxo-2-(2,2,3,3-tetrafluoropropanoylamino)pentanoic acid
SMILESNC(=O)CCC(NC(=O)C(F)(F)C(F)F)C(=O)O
InChIInChI=1S/C8H10F4N2O4/c9-6(10)8(11,12)7(18)14-3(5(16)17)1-2-4(13)15/h3,6H,1-2H2,(H2,13,15)(H,14,18)(H,16,17)
InChIKeyAZHPBZGCSFYNJK-UHFFFAOYSA-N
XLogP-0.28
TPSA109.49 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500274.17
LogP ≤ 5-0.28
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

(2S)-5-amino-2-[(2-amino-2-methylpropanoyl)amino]-5-oxopentanoic acid
CID 61267028
(2S)-5-amino-2-[(2-amino-2-ethylbutanoyl)amino]-5-oxopentanoic acid
CID 79814047
(2R)-5-amino-2-(carboxyamino)-5-oxopentanoic acid
CID 150215384
5-amino-2-[(3-amino-2,2-dimethylpropanoyl)amino]-5-oxopentanoic acid
CID 115426530
(2R)-5-amino-5-oxo-2-(2,2,2-trifluoroethylcarbamoylamino)pentanoic acid
CID 107830131
(2S)-5-amino-2-[(2-amino-2-methylpentanoyl)amino]-5-oxopentanoic acid
CID 61159622
(2S)-5-amino-5-oxo-2-[(2,2,2-trifluoroacetyl)amino]pentanoate
CID 6993253
5-amino-2-[[7-[(4-amino-1-carboxy-4-oxobutyl)amino]-7-oxoheptanoyl]amino]-5-oxopentanoic acid
CID 22096663
5-amino-5-oxo-2-(prop-1-en-2-ylamino)pentanoic acid
CID 142578734
(2S)-2-acetamido-5-amino-5-oxopentanoic acid;(2R)-2-acetamido-3-sulfanylpropanoic acid
CID 87864683
5-amino-2-(tert-butylcarbamoylamino)-5-oxopentanoic acid
CID 43210526
(2S)-5-amino-5-oxo-2-(4,4,4-trifluorobutylcarbamoylamino)pentanoic acid
CID 115521247

Frequently Asked Questions

What is the IUPAC name of 5-amino-5-oxo-2-(2,2,3,3-tetrafluoropropanoylamino)pentanoic acid?
The IUPAC name of 5-amino-5-oxo-2-(2,2,3,3-tetrafluoropropanoylamino)pentanoic acid (CID 114032465) is 5-amino-5-oxo-2-(2,2,3,3-tetrafluoropropanoylamino)pentanoic acid.
What is the SMILES notation for 5-amino-5-oxo-2-(2,2,3,3-tetrafluoropropanoylamino)pentanoic acid?
The canonical SMILES for 5-amino-5-oxo-2-(2,2,3,3-tetrafluoropropanoylamino)pentanoic acid is NC(=O)CCC(NC(=O)C(F)(F)C(F)F)C(=O)O.
What is the InChIKey of 5-amino-5-oxo-2-(2,2,3,3-tetrafluoropropanoylamino)pentanoic acid?
The InChIKey is AZHPBZGCSFYNJK-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H10F4N2O4/c9-6(10)8(11,12)7(18)14-3(5(16)17)1-2-4(13)15/h3,6H,1-2H2,(H2,13,15)(H,14,18)(H,16,17).
What are the key properties of 5-amino-5-oxo-2-(2,2,3,3-tetrafluoropropanoylamino)pentanoic acid?
5-amino-5-oxo-2-(2,2,3,3-tetrafluoropropanoylamino)pentanoic acid has a molecular weight of 274.17 g/mol, XLogP of -0.28, 7 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-amino-5-oxo-2-(2,2,3,3-tetrafluoropropanoylamino)pentanoic acid is sourced from PubChem (CID 114032465), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).