2-(2,2,3,3,3-pentafluoropropanoylamino)propanoic acid

C6H6F5NO3 — CID 54220643

IUPAC2-(2,2,3,3,3-pentafluoropropanoylamino)propanoic acid
SMILESCC(NC(=O)C(F)(F)C(F)(F)F)C(=O)O
InChIInChI=1S/C6H6F5NO3/c1-2(3(13)14)12-4(15)5(7,8)6(9,10)11/h2H,1H3,(H,12,15)(H,13,14)
InChIKeyDKOMWXQMAOMQLP-UHFFFAOYSA-N
MW235.11 g/mol
LogP0.77
Rot. Bonds3

About 2-(2,2,3,3,3-pentafluoropropanoylamino)propanoic acid

2-(2,2,3,3,3-pentafluoropropanoylamino)propanoic acid (PubChem CID 54220643) has the molecular formula C6H6F5NO3 and a molecular weight of 235.11 g/mol. Its IUPAC name is 2-(2,2,3,3,3-pentafluoropropanoylamino)propanoic acid.

Molecular Properties

Compound Name2-(2,2,3,3,3-pentafluoropropanoylamino)propanoic acid
PubChem CID54220643
Molecular FormulaC6H6F5NO3
Molecular Weight235.11 g/mol
Exact Mass235.03
IUPAC Name2-(2,2,3,3,3-pentafluoropropanoylamino)propanoic acid
SMILESCC(NC(=O)C(F)(F)C(F)(F)F)C(=O)O
InChIInChI=1S/C6H6F5NO3/c1-2(3(13)14)12-4(15)5(7,8)6(9,10)11/h2H,1H3,(H,12,15)(H,13,14)
InChIKeyDKOMWXQMAOMQLP-UHFFFAOYSA-N
XLogP0.77
TPSA66.40 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500235.11
LogP ≤ 50.77
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

N-Acetyl-L-alanine
CID 88064
N-acetyl-D-alanine
CID 132213
N-Acetyl-DL-alanine
CID 7345
(2S)-2-propanamidopropanoic acid
CID 22788191
N-(1-Oxopropyl)alanine
CID 321155
(2S)-3-methyl-2-(trifluoroacetamido)butanoic acid
CID 2755241
3-Methyl-2-(trifluoroacetamido)butanoic acid
CID 303591
L-alanyl-L-alanine trifluoroacetate
CID 49796171
N-acetyl-trifluoronorvaline
CID 54205847
2-(Trifluoroacetamido)butanoic acid
CID 22592668
2-[(2,2,2-Trifluoroacetyl)amino]propanoic acid
CID 291682
2-(3,3,3-Trifluoropropanamido)acetic acid
CID 16772835

Frequently Asked Questions

What is the IUPAC name of 2-(2,2,3,3,3-pentafluoropropanoylamino)propanoic acid?
The IUPAC name of 2-(2,2,3,3,3-pentafluoropropanoylamino)propanoic acid (CID 54220643) is 2-(2,2,3,3,3-pentafluoropropanoylamino)propanoic acid.
What is the SMILES notation for 2-(2,2,3,3,3-pentafluoropropanoylamino)propanoic acid?
The canonical SMILES for 2-(2,2,3,3,3-pentafluoropropanoylamino)propanoic acid is CC(NC(=O)C(F)(F)C(F)(F)F)C(=O)O.
What is the InChIKey of 2-(2,2,3,3,3-pentafluoropropanoylamino)propanoic acid?
The InChIKey is DKOMWXQMAOMQLP-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H6F5NO3/c1-2(3(13)14)12-4(15)5(7,8)6(9,10)11/h2H,1H3,(H,12,15)(H,13,14).
What are the key properties of 2-(2,2,3,3,3-pentafluoropropanoylamino)propanoic acid?
2-(2,2,3,3,3-pentafluoropropanoylamino)propanoic acid has a molecular weight of 235.11 g/mol, XLogP of 0.77, 3 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2,2,3,3,3-pentafluoropropanoylamino)propanoic acid is sourced from PubChem (CID 54220643), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).