2-(3,3,3-trifluoropropanoylamino)acetic acid

C5H6F3NO3 — CID 16772835

IUPAC2-(3,3,3-trifluoropropanoylamino)acetic acid
SMILESO=C(O)CNC(=O)CC(F)(F)F
InChIInChI=1S/C5H6F3NO3/c6-5(7,8)1-3(10)9-2-4(11)12/h1-2H2,(H,9,10)(H,11,12)
InChIKeyHCFKMHVQJRKUQJ-UHFFFAOYSA-N
MW185.10 g/mol
LogP0.14
Rot. Bonds3

About 2-(3,3,3-trifluoropropanoylamino)acetic acid

2-(3,3,3-trifluoropropanoylamino)acetic acid (PubChem CID 16772835) has the molecular formula C5H6F3NO3 and a molecular weight of 185.10 g/mol. Its IUPAC name is 2-(3,3,3-trifluoropropanoylamino)acetic acid.

Molecular Properties

Compound Name2-(3,3,3-trifluoropropanoylamino)acetic acid
PubChem CID16772835
Molecular FormulaC5H6F3NO3
Molecular Weight185.10 g/mol
Exact Mass185.03
IUPAC Name2-(3,3,3-trifluoropropanoylamino)acetic acid
SMILESO=C(O)CNC(=O)CC(F)(F)F
InChIInChI=1S/C5H6F3NO3/c6-5(7,8)1-3(10)9-2-4(11)12/h1-2H2,(H,9,10)(H,11,12)
InChIKeyHCFKMHVQJRKUQJ-UHFFFAOYSA-N
XLogP0.14
TPSA66.40 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500185.10
LogP ≤ 50.14
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 2-(3,3,3-trifluoropropanoylamino)acetic acid?
The IUPAC name of 2-(3,3,3-trifluoropropanoylamino)acetic acid (CID 16772835) is 2-(3,3,3-trifluoropropanoylamino)acetic acid.
What is the SMILES notation for 2-(3,3,3-trifluoropropanoylamino)acetic acid?
The canonical SMILES for 2-(3,3,3-trifluoropropanoylamino)acetic acid is O=C(O)CNC(=O)CC(F)(F)F.
What is the InChIKey of 2-(3,3,3-trifluoropropanoylamino)acetic acid?
The InChIKey is HCFKMHVQJRKUQJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H6F3NO3/c6-5(7,8)1-3(10)9-2-4(11)12/h1-2H2,(H,9,10)(H,11,12).
What are the key properties of 2-(3,3,3-trifluoropropanoylamino)acetic acid?
2-(3,3,3-trifluoropropanoylamino)acetic acid has a molecular weight of 185.10 g/mol, XLogP of 0.14, 3 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3,3,3-trifluoropropanoylamino)acetic acid is sourced from PubChem (CID 16772835), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).