3-[[4-fluoro-3-(trifluoromethyl)benzoyl]amino]-2-hydroxypropanoic acid

C11H9F4NO4 — CID 66165014

IUPAC3-[[4-fluoro-3-(trifluoromethyl)benzoyl]amino]-2-hydroxypropanoic acid
SMILESO=C(NCC(O)C(=O)O)c1ccc(F)c(C(F)(F)F)c1
InChIInChI=1S/C11H9F4NO4/c12-7-2-1-5(3-6(7)11(13,14)15)9(18)16-4-8(17)10(19)20/h1-3,8,17H,4H2,(H,16,18)(H,19,20)
InChIKeyUUSBKVCIPQAYHR-UHFFFAOYSA-N
MW295.19 g/mol
LogP1.02
Rot. Bonds4

About 3-[[4-fluoro-3-(trifluoromethyl)benzoyl]amino]-2-hydroxypropanoic acid

3-[[4-fluoro-3-(trifluoromethyl)benzoyl]amino]-2-hydroxypropanoic acid (PubChem CID 66165014) has the molecular formula C11H9F4NO4 and a molecular weight of 295.19 g/mol. Its IUPAC name is 3-[[4-fluoro-3-(trifluoromethyl)benzoyl]amino]-2-hydroxypropanoic acid.

Molecular Properties

Compound Name3-[[4-fluoro-3-(trifluoromethyl)benzoyl]amino]-2-hydroxypropanoic acid
PubChem CID66165014
Molecular FormulaC11H9F4NO4
Molecular Weight295.19 g/mol
Exact Mass295.05
IUPAC Name3-[[4-fluoro-3-(trifluoromethyl)benzoyl]amino]-2-hydroxypropanoic acid
SMILESO=C(NCC(O)C(=O)O)c1ccc(F)c(C(F)(F)F)c1
InChIInChI=1S/C11H9F4NO4/c12-7-2-1-5(3-6(7)11(13,14)15)9(18)16-4-8(17)10(19)20/h1-3,8,17H,4H2,(H,16,18)(H,19,20)
InChIKeyUUSBKVCIPQAYHR-UHFFFAOYSA-N
XLogP1.02
TPSA86.63 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500295.19
LogP ≤ 51.02
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

Analyze 3-[[4-fluoro-3-(trifluoromethyl)benzoyl]amino]-2-hydroxypropanoic 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-fluoro-N-(2-hydroxy-4-methylpentyl)-3-(trifluoromethyl)benzamide
CID 103771258
4-fluoro-N-(3-hydroxy-2-methylpropyl)-3-(trifluoromethyl)benzamide
CID 65037242
3-[(3-fluoro-4-methylbenzoyl)amino]-2-hydroxypropanoic acid
CID 66166822
(2S)-3-[(3-fluoro-4-methylbenzoyl)amino]-2-hydroxypropanoic acid
CID 107833177
4-fluoro-N-(2-oxopropyl)-3-(trifluoromethyl)benzamide
CID 64996833
N-[(2R)-2-amino-2-cyclopropylethyl]-4-fluoro-3-(trifluoromethyl)benzamide
CID 124550256
4-fluoro-N-(4-hydroxypentyl)-3-(trifluoromethyl)benzamide
CID 107300108
N-[2-(carbamoylamino)ethyl]-4-fluoro-3-(trifluoromethyl)benzamide
CID 78993906
3-[(3-fluoro-4-nitrobenzoyl)amino]-2-hydroxypropanoic acid
CID 66167058
4-fluoro-N-[(2S)-2-(4-methylpiperazin-1-yl)propyl]-3-(trifluoromethyl)benzamide
CID 95314936
(2S)-2-hydroxy-3-[[6-(trifluoromethyl)pyridine-3-carbonyl]amino]propanoic acid
CID 107833571
(2S)-3-[(4-amino-3-methylbenzoyl)amino]-2-hydroxypropanoic acid
CID 114006812

Frequently Asked Questions

What is the IUPAC name of 3-[[4-fluoro-3-(trifluoromethyl)benzoyl]amino]-2-hydroxypropanoic acid?
The IUPAC name of 3-[[4-fluoro-3-(trifluoromethyl)benzoyl]amino]-2-hydroxypropanoic acid (CID 66165014) is 3-[[4-fluoro-3-(trifluoromethyl)benzoyl]amino]-2-hydroxypropanoic acid.
What is the SMILES notation for 3-[[4-fluoro-3-(trifluoromethyl)benzoyl]amino]-2-hydroxypropanoic acid?
The canonical SMILES for 3-[[4-fluoro-3-(trifluoromethyl)benzoyl]amino]-2-hydroxypropanoic acid is O=C(NCC(O)C(=O)O)c1ccc(F)c(C(F)(F)F)c1.
What is the InChIKey of 3-[[4-fluoro-3-(trifluoromethyl)benzoyl]amino]-2-hydroxypropanoic acid?
The InChIKey is UUSBKVCIPQAYHR-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H9F4NO4/c12-7-2-1-5(3-6(7)11(13,14)15)9(18)16-4-8(17)10(19)20/h1-3,8,17H,4H2,(H,16,18)(H,19,20).
What are the key properties of 3-[[4-fluoro-3-(trifluoromethyl)benzoyl]amino]-2-hydroxypropanoic acid?
3-[[4-fluoro-3-(trifluoromethyl)benzoyl]amino]-2-hydroxypropanoic acid has a molecular weight of 295.19 g/mol, XLogP of 1.02, 4 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[[4-fluoro-3-(trifluoromethyl)benzoyl]amino]-2-hydroxypropanoic acid is sourced from PubChem (CID 66165014), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).