3-(3,3,3-trifluoropropylcarbamoylamino)propanoic acid

C7H11F3N2O3 — CID 63227638

IUPAC3-(3,3,3-trifluoropropylcarbamoylamino)propanoic acid
SMILESO=C(O)CCNC(=O)NCCC(F)(F)F
InChIInChI=1S/C7H11F3N2O3/c8-7(9,10)2-4-12-6(15)11-3-1-5(13)14/h1-4H2,(H,13,14)(H2,11,12,15)
InChIKeyOQYRJCBMUWHSJL-UHFFFAOYSA-N
MW228.17 g/mol
LogP0.71
Rot. Bonds5

About 3-(3,3,3-trifluoropropylcarbamoylamino)propanoic acid

3-(3,3,3-trifluoropropylcarbamoylamino)propanoic acid (PubChem CID 63227638) has the molecular formula C7H11F3N2O3 and a molecular weight of 228.17 g/mol. Its IUPAC name is 3-(3,3,3-trifluoropropylcarbamoylamino)propanoic acid.

Molecular Properties

Compound Name3-(3,3,3-trifluoropropylcarbamoylamino)propanoic acid
PubChem CID63227638
Molecular FormulaC7H11F3N2O3
Molecular Weight228.17 g/mol
Exact Mass228.07
IUPAC Name3-(3,3,3-trifluoropropylcarbamoylamino)propanoic acid
SMILESO=C(O)CCNC(=O)NCCC(F)(F)F
InChIInChI=1S/C7H11F3N2O3/c8-7(9,10)2-4-12-6(15)11-3-1-5(13)14/h1-4H2,(H,13,14)(H2,11,12,15)
InChIKeyOQYRJCBMUWHSJL-UHFFFAOYSA-N
XLogP0.71
TPSA78.43 Ų
H-Bond Donors3
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500228.17
LogP ≤ 50.71
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 102

Analyze 3-(3,3,3-trifluoropropylcarbamoylamino)propanoic acid with MolForge

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

Launch Full Analysis

Related Compounds

4-(3,3,3-trifluoropropylcarbamoylamino)butanoic acid
CID 63227541
1-(2-hydroxyethyl)-3-(3,3,3-trifluoropropyl)urea
CID 111474094
1-(2,2,2-trifluoroethyl)-3-(3,3,3-trifluoropropyl)urea
CID 115662977
3-[2-(2,2,2-trifluoroethoxy)ethylcarbamoylamino]propanoic acid
CID 63834599
3-[2-(trifluoromethoxy)ethylcarbamoylamino]propanoic acid
CID 122011441
1-amino-3-(3,3,3-trifluoropropyl)urea
CID 63227916
3-(2,2,3,3-tetrafluoropropylcarbamoylamino)propanoic acid
CID 106295060
3-methyl-3-(3,3,3-trifluoropropylcarbamoylamino)butanoic acid
CID 64701489
2-ethyl-2-[(3,3,3-trifluoropropylcarbamoylamino)methyl]butanoic acid
CID 115431150
2-(5,5,5-trifluoropentylcarbamoylamino)acetic acid
CID 115521461
4-[2-(3,3,3-trifluoropropylcarbamoylamino)ethyl]benzoic acid
CID 63227545
ethyl 2-(3,3,3-trifluoropropylcarbamoylamino)acetate
CID 60969883

Frequently Asked Questions

What is the IUPAC name of 3-(3,3,3-trifluoropropylcarbamoylamino)propanoic acid?
The IUPAC name of 3-(3,3,3-trifluoropropylcarbamoylamino)propanoic acid (CID 63227638) is 3-(3,3,3-trifluoropropylcarbamoylamino)propanoic acid.
What is the SMILES notation for 3-(3,3,3-trifluoropropylcarbamoylamino)propanoic acid?
The canonical SMILES for 3-(3,3,3-trifluoropropylcarbamoylamino)propanoic acid is O=C(O)CCNC(=O)NCCC(F)(F)F.
What is the InChIKey of 3-(3,3,3-trifluoropropylcarbamoylamino)propanoic acid?
The InChIKey is OQYRJCBMUWHSJL-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H11F3N2O3/c8-7(9,10)2-4-12-6(15)11-3-1-5(13)14/h1-4H2,(H,13,14)(H2,11,12,15).
What are the key properties of 3-(3,3,3-trifluoropropylcarbamoylamino)propanoic acid?
3-(3,3,3-trifluoropropylcarbamoylamino)propanoic acid has a molecular weight of 228.17 g/mol, XLogP of 0.71, 5 rotatable bonds, 3 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(3,3,3-trifluoropropylcarbamoylamino)propanoic acid is sourced from PubChem (CID 63227638), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).