3-[methyl(3,3,3-trifluoropropanoyl)amino]propanoic acid

C7H10F3NO3 — CID 60988390

IUPAC3-[methyl(3,3,3-trifluoropropanoyl)amino]propanoic acid
SMILESCN(CCC(=O)O)C(=O)CC(F)(F)F
InChIInChI=1S/C7H10F3NO3/c1-11(3-2-6(13)14)5(12)4-7(8,9)10/h2-4H2,1H3,(H,13,14)
InChIKeyIPEKQKRRZZHZRJ-UHFFFAOYSA-N
MW213.15 g/mol
LogP0.87
Rot. Bonds4

About 3-[methyl(3,3,3-trifluoropropanoyl)amino]propanoic acid

3-[methyl(3,3,3-trifluoropropanoyl)amino]propanoic acid (PubChem CID 60988390) has the molecular formula C7H10F3NO3 and a molecular weight of 213.15 g/mol. Its IUPAC name is 3-[methyl(3,3,3-trifluoropropanoyl)amino]propanoic acid.

Molecular Properties

Compound Name3-[methyl(3,3,3-trifluoropropanoyl)amino]propanoic acid
PubChem CID60988390
Molecular FormulaC7H10F3NO3
Molecular Weight213.15 g/mol
Exact Mass213.06
IUPAC Name3-[methyl(3,3,3-trifluoropropanoyl)amino]propanoic acid
SMILESCN(CCC(=O)O)C(=O)CC(F)(F)F
InChIInChI=1S/C7H10F3NO3/c1-11(3-2-6(13)14)5(12)4-7(8,9)10/h2-4H2,1H3,(H,13,14)
InChIKeyIPEKQKRRZZHZRJ-UHFFFAOYSA-N
XLogP0.87
TPSA57.61 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500213.15
LogP ≤ 50.87
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

3-(N-methylacetamido)propanoic acid
CID 541580
3-(Diacetylamino)propanoic acid
CID 13408783
1-(2,2,2-Trifluoroacetyl)-3-azetidinecarboxylic acid
CID 21076132
3-(N-Formyl-N-methylamino)-2-(trifluoromethyl)propanoic acid
CID 16217701
3-(Dimethylamino)-2,2-difluoropropanoic acid hydrochloride
CID 155821089
Methyl 3-(2,2,2-Trifluoro-N-methylacetamido)propanoate
CID 61587355
3-[Methyl(2,2,2-trifluoroethyl)amino]propanoic acid
CID 60892343
3-(2,2,2-trifluoro-N-methylacetamido)propanoic acid
CID 61000945
3-(Dimethylamino)-2,2-difluoropropanoic acid
CID 84649708
3-[Methylsulfanyl-(2,2,2-trifluoroacetyl)amino]propanoic acid
CID 88796407
2,2-Dimethyl-3-(trifluoroacetamido)propanoic acid
CID 115427268
N,N-dimethylpropanamide;2,2,2-trifluoroacetic acid
CID 130237605

Frequently Asked Questions

What is the IUPAC name of 3-[methyl(3,3,3-trifluoropropanoyl)amino]propanoic acid?
The IUPAC name of 3-[methyl(3,3,3-trifluoropropanoyl)amino]propanoic acid (CID 60988390) is 3-[methyl(3,3,3-trifluoropropanoyl)amino]propanoic acid.
What is the SMILES notation for 3-[methyl(3,3,3-trifluoropropanoyl)amino]propanoic acid?
The canonical SMILES for 3-[methyl(3,3,3-trifluoropropanoyl)amino]propanoic acid is CN(CCC(=O)O)C(=O)CC(F)(F)F.
What is the InChIKey of 3-[methyl(3,3,3-trifluoropropanoyl)amino]propanoic acid?
The InChIKey is IPEKQKRRZZHZRJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H10F3NO3/c1-11(3-2-6(13)14)5(12)4-7(8,9)10/h2-4H2,1H3,(H,13,14).
What are the key properties of 3-[methyl(3,3,3-trifluoropropanoyl)amino]propanoic acid?
3-[methyl(3,3,3-trifluoropropanoyl)amino]propanoic acid has a molecular weight of 213.15 g/mol, XLogP of 0.87, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[methyl(3,3,3-trifluoropropanoyl)amino]propanoic acid is sourced from PubChem (CID 60988390), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).