2-[acetyl(methyl)amino]-3,3,3-trifluoro-2-methylpropanoic acid

C7H10F3NO3 — CID 106523373

IUPAC2-[acetyl(methyl)amino]-3,3,3-trifluoro-2-methylpropanoic acid
SMILESCC(=O)N(C)C(C)(C(=O)O)C(F)(F)F
InChIInChI=1S/C7H10F3NO3/c1-4(12)11(3)6(2,5(13)14)7(8,9)10/h1-3H3,(H,13,14)
InChIKeyJCNNOVBPRHTHFW-UHFFFAOYSA-N
MW213.15 g/mol
LogP0.87
Rot. Bonds2

About 2-[acetyl(methyl)amino]-3,3,3-trifluoro-2-methylpropanoic acid

2-[acetyl(methyl)amino]-3,3,3-trifluoro-2-methylpropanoic acid (PubChem CID 106523373) has the molecular formula C7H10F3NO3 and a molecular weight of 213.15 g/mol. Its IUPAC name is 2-[acetyl(methyl)amino]-3,3,3-trifluoro-2-methylpropanoic acid.

Molecular Properties

Compound Name2-[acetyl(methyl)amino]-3,3,3-trifluoro-2-methylpropanoic acid
PubChem CID106523373
Molecular FormulaC7H10F3NO3
Molecular Weight213.15 g/mol
Exact Mass213.06
IUPAC Name2-[acetyl(methyl)amino]-3,3,3-trifluoro-2-methylpropanoic acid
SMILESCC(=O)N(C)C(C)(C(=O)O)C(F)(F)F
InChIInChI=1S/C7H10F3NO3/c1-4(12)11(3)6(2,5(13)14)7(8,9)10/h1-3H3,(H,13,14)
InChIKeyJCNNOVBPRHTHFW-UHFFFAOYSA-N
XLogP0.87
TPSA57.61 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
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

Analyze 2-[acetyl(methyl)amino]-3,3,3-trifluoro-2-methylpropanoic 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

2-methyl-2-(N-methylacetamido)propanoic acid
CID 23279431
2-Methyl-2-[methyl(2,2,2-trifluoroethyl)amino]propanoic acid
CID 61343842
2-(2,2,2-trifluoro-N-methylacetamido)propanoic acid
CID 62626751
(2S)-2-[acetyl(ethyl)amino]-2,3,3-trifluoropropanoic acid
CID 87382971
(2S)-2-(diacetylamino)-2,3,3-trifluoropropanoic acid
CID 87383292
2-(Diacetylamino)-2,3,3-trifluoropropanoic acid
CID 87383293
(2S)-2-(2,2,2-trifluoro-N-methylacetamido)propanoic acid
CID 94520530
(2S)-2-[acetyl(2,2,2-trifluoroethyl)amino]propanoic acid
CID 141046554
(2R)-2-(diacetylamino)-3,3,3-trifluoropropanoic acid
CID 145858385
(2S)-2-[tert-butyl-(2,2,2-trifluoroacetyl)amino]propanoic acid
CID 175750220
2-[Methyl(3,3,3-trifluoropropanoyl)amino]acetic acid
CID 16776833
2-[Acetyl-(2,2,2-trifluoroacetyl)amino]propanoic acid
CID 57373286

Frequently Asked Questions

What is the IUPAC name of 2-[acetyl(methyl)amino]-3,3,3-trifluoro-2-methylpropanoic acid?
The IUPAC name of 2-[acetyl(methyl)amino]-3,3,3-trifluoro-2-methylpropanoic acid (CID 106523373) is 2-[acetyl(methyl)amino]-3,3,3-trifluoro-2-methylpropanoic acid.
What is the SMILES notation for 2-[acetyl(methyl)amino]-3,3,3-trifluoro-2-methylpropanoic acid?
The canonical SMILES for 2-[acetyl(methyl)amino]-3,3,3-trifluoro-2-methylpropanoic acid is CC(=O)N(C)C(C)(C(=O)O)C(F)(F)F.
What is the InChIKey of 2-[acetyl(methyl)amino]-3,3,3-trifluoro-2-methylpropanoic acid?
The InChIKey is JCNNOVBPRHTHFW-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H10F3NO3/c1-4(12)11(3)6(2,5(13)14)7(8,9)10/h1-3H3,(H,13,14).
What are the key properties of 2-[acetyl(methyl)amino]-3,3,3-trifluoro-2-methylpropanoic acid?
2-[acetyl(methyl)amino]-3,3,3-trifluoro-2-methylpropanoic acid has a molecular weight of 213.15 g/mol, XLogP of 0.87, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[acetyl(methyl)amino]-3,3,3-trifluoro-2-methylpropanoic acid is sourced from PubChem (CID 106523373), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).