2-(2,2,2-trifluoroethylcarbamoylamino)acetic acid

C5H7F3N2O3 — CID 16789372

IUPAC2-(2,2,2-trifluoroethylcarbamoylamino)acetic acid
SMILESO=C(O)CNC(=O)NCC(F)(F)F
InChIInChI=1S/C5H7F3N2O3/c6-5(7,8)2-10-4(13)9-1-3(11)12/h1-2H2,(H,11,12)(H2,9,10,13)
InChIKeyWPOALJHBTONAIW-UHFFFAOYSA-N
MW200.12 g/mol
LogP-0.07
Rot. Bonds3

About 2-(2,2,2-trifluoroethylcarbamoylamino)acetic acid

2-(2,2,2-trifluoroethylcarbamoylamino)acetic acid (PubChem CID 16789372) has the molecular formula C5H7F3N2O3 and a molecular weight of 200.12 g/mol. Its IUPAC name is 2-(2,2,2-trifluoroethylcarbamoylamino)acetic acid.

Molecular Properties

Compound Name2-(2,2,2-trifluoroethylcarbamoylamino)acetic acid
PubChem CID16789372
Molecular FormulaC5H7F3N2O3
Molecular Weight200.12 g/mol
Exact Mass200.04
IUPAC Name2-(2,2,2-trifluoroethylcarbamoylamino)acetic acid
SMILESO=C(O)CNC(=O)NCC(F)(F)F
InChIInChI=1S/C5H7F3N2O3/c6-5(7,8)2-10-4(13)9-1-3(11)12/h1-2H2,(H,11,12)(H2,9,10,13)
InChIKeyWPOALJHBTONAIW-UHFFFAOYSA-N
XLogP-0.07
TPSA78.43 Ų
H-Bond Donors3
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500200.12
LogP ≤ 5-0.07
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 102

Analyze 2-(2,2,2-trifluoroethylcarbamoylamino)acetic acid with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 2-(2,2,2-trifluoroethylcarbamoylamino)acetic acid?
The IUPAC name of 2-(2,2,2-trifluoroethylcarbamoylamino)acetic acid (CID 16789372) is 2-(2,2,2-trifluoroethylcarbamoylamino)acetic acid.
What is the SMILES notation for 2-(2,2,2-trifluoroethylcarbamoylamino)acetic acid?
The canonical SMILES for 2-(2,2,2-trifluoroethylcarbamoylamino)acetic acid is O=C(O)CNC(=O)NCC(F)(F)F.
What is the InChIKey of 2-(2,2,2-trifluoroethylcarbamoylamino)acetic acid?
The InChIKey is WPOALJHBTONAIW-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H7F3N2O3/c6-5(7,8)2-10-4(13)9-1-3(11)12/h1-2H2,(H,11,12)(H2,9,10,13).
What are the key properties of 2-(2,2,2-trifluoroethylcarbamoylamino)acetic acid?
2-(2,2,2-trifluoroethylcarbamoylamino)acetic acid has a molecular weight of 200.12 g/mol, XLogP of -0.07, 3 rotatable bonds, 3 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2,2,2-trifluoroethylcarbamoylamino)acetic acid is sourced from PubChem (CID 16789372), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).