3-[methyl-[2-[3-(trifluoromethyl)phenyl]acetyl]amino]propanoic acid

C13H14F3NO3 — CID 60988760

IUPAC3-[methyl-[2-[3-(trifluoromethyl)phenyl]acetyl]amino]propanoic acid
SMILESCN(CCC(=O)O)C(=O)Cc1cccc(C(F)(F)F)c1
InChIInChI=1S/C13H14F3NO3/c1-17(6-5-12(19)20)11(18)8-9-3-2-4-10(7-9)13(14,15)16/h2-4,7H,5-6,8H2,1H3,(H,19,20)
InChIKeySWONELSOXXEPQW-UHFFFAOYSA-N
MW289.25 g/mol
LogP2.18
Rot. Bonds5

About 3-[methyl-[2-[3-(trifluoromethyl)phenyl]acetyl]amino]propanoic acid

3-[methyl-[2-[3-(trifluoromethyl)phenyl]acetyl]amino]propanoic acid (PubChem CID 60988760) has the molecular formula C13H14F3NO3 and a molecular weight of 289.25 g/mol. Its IUPAC name is 3-[methyl-[2-[3-(trifluoromethyl)phenyl]acetyl]amino]propanoic acid.

Molecular Properties

Compound Name3-[methyl-[2-[3-(trifluoromethyl)phenyl]acetyl]amino]propanoic acid
PubChem CID60988760
Molecular FormulaC13H14F3NO3
Molecular Weight289.25 g/mol
Exact Mass289.09
IUPAC Name3-[methyl-[2-[3-(trifluoromethyl)phenyl]acetyl]amino]propanoic acid
SMILESCN(CCC(=O)O)C(=O)Cc1cccc(C(F)(F)F)c1
InChIInChI=1S/C13H14F3NO3/c1-17(6-5-12(19)20)11(18)8-9-3-2-4-10(7-9)13(14,15)16/h2-4,7H,5-6,8H2,1H3,(H,19,20)
InChIKeySWONELSOXXEPQW-UHFFFAOYSA-N
XLogP2.18
TPSA57.61 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500289.25
LogP ≤ 52.18
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Analyze 3-[methyl-[2-[3-(trifluoromethyl)phenyl]acetyl]amino]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

N-(5-hydroxypentyl)-N-methyl-2-[3-(trifluoromethyl)phenyl]acetamide
CID 107202415
N-(3-amino-2,2-dimethylpropyl)-N-methyl-2-[3-(trifluoromethyl)phenyl]acetamide
CID 119656004
3-[methyl-[2-(3-nitrophenyl)acetyl]amino]propanoic acid
CID 112700770
2-[2-methylpropyl-[2-[3-(trifluoromethyl)phenyl]acetyl]amino]acetic acid
CID 119192810
3-[[3-(trifluoromethyl)phenyl]methylamino]propanoic acid
CID 28830273
2-[2-[3-(trifluoromethyl)phenyl]ethanethioyl]sulfanylacetic acid
CID 54436497
3-[methyl-[2-(5,6,7,8-tetrahydronaphthalen-2-yl)acetyl]amino]propanoic acid
CID 60989072
3-[ethyl-[2-methyl-3-[3-(trifluoromethyl)phenyl]propanoyl]amino]propanoic acid
CID 119191026
3-[methyl-[2-[3-[(3-methylphenyl)methoxy]phenyl]acetyl]amino]propanoic acid
CID 119362771
methyl 2-[3-(trifluoromethyl)phenyl]acetate;molecular nitrogen
CID 175534080
methyl 4-oxo-5-[3-(trifluoromethyl)phenyl]pentanoate
CID 63900904
3-[methyl-[2-[3-(trifluoromethyl)phenyl]-1,3-thiazole-4-carbonyl]amino]propanoic acid
CID 119362647

Frequently Asked Questions

What is the IUPAC name of 3-[methyl-[2-[3-(trifluoromethyl)phenyl]acetyl]amino]propanoic acid?
The IUPAC name of 3-[methyl-[2-[3-(trifluoromethyl)phenyl]acetyl]amino]propanoic acid (CID 60988760) is 3-[methyl-[2-[3-(trifluoromethyl)phenyl]acetyl]amino]propanoic acid.
What is the SMILES notation for 3-[methyl-[2-[3-(trifluoromethyl)phenyl]acetyl]amino]propanoic acid?
The canonical SMILES for 3-[methyl-[2-[3-(trifluoromethyl)phenyl]acetyl]amino]propanoic acid is CN(CCC(=O)O)C(=O)Cc1cccc(C(F)(F)F)c1.
What is the InChIKey of 3-[methyl-[2-[3-(trifluoromethyl)phenyl]acetyl]amino]propanoic acid?
The InChIKey is SWONELSOXXEPQW-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H14F3NO3/c1-17(6-5-12(19)20)11(18)8-9-3-2-4-10(7-9)13(14,15)16/h2-4,7H,5-6,8H2,1H3,(H,19,20).
What are the key properties of 3-[methyl-[2-[3-(trifluoromethyl)phenyl]acetyl]amino]propanoic acid?
3-[methyl-[2-[3-(trifluoromethyl)phenyl]acetyl]amino]propanoic acid has a molecular weight of 289.25 g/mol, XLogP of 2.18, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[methyl-[2-[3-(trifluoromethyl)phenyl]acetyl]amino]propanoic acid is sourced from PubChem (CID 60988760), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).