3,3,3-trifluoro-2-methyl-2-[(4-methylthiophene-3-carbonyl)amino]propanoic acid

C10H10F3NO3S — CID 79803408

IUPAC3,3,3-trifluoro-2-methyl-2-[(4-methylthiophene-3-carbonyl)amino]propanoic acid
SMILESCc1cscc1C(=O)NC(C)(C(=O)O)C(F)(F)F
InChIInChI=1S/C10H10F3NO3S/c1-5-3-18-4-6(5)7(15)14-9(2,8(16)17)10(11,12)13/h3-4H,1-2H3,(H,14,15)(H,16,17)
InChIKeyHCPVFBVWOKYSEI-UHFFFAOYSA-N
MW281.25 g/mol
LogP2.19
Rot. Bonds3

About 3,3,3-trifluoro-2-methyl-2-[(4-methylthiophene-3-carbonyl)amino]propanoic acid

3,3,3-trifluoro-2-methyl-2-[(4-methylthiophene-3-carbonyl)amino]propanoic acid (PubChem CID 79803408) has the molecular formula C10H10F3NO3S and a molecular weight of 281.25 g/mol. Its IUPAC name is 3,3,3-trifluoro-2-methyl-2-[(4-methylthiophene-3-carbonyl)amino]propanoic acid.

Molecular Properties

Compound Name3,3,3-trifluoro-2-methyl-2-[(4-methylthiophene-3-carbonyl)amino]propanoic acid
PubChem CID79803408
Molecular FormulaC10H10F3NO3S
Molecular Weight281.25 g/mol
Exact Mass281.03
IUPAC Name3,3,3-trifluoro-2-methyl-2-[(4-methylthiophene-3-carbonyl)amino]propanoic acid
SMILESCc1cscc1C(=O)NC(C)(C(=O)O)C(F)(F)F
InChIInChI=1S/C10H10F3NO3S/c1-5-3-18-4-6(5)7(15)14-9(2,8(16)17)10(11,12)13/h3-4H,1-2H3,(H,14,15)(H,16,17)
InChIKeyHCPVFBVWOKYSEI-UHFFFAOYSA-N
XLogP2.19
TPSA66.40 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500281.25
LogP ≤ 52.19
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

2-[[4-(Trifluoromethyl)thiophene-3-carbonyl]amino]propanedioic acid
CID 69475877
3,3,3-Trifluoro-2-[(5-iodothiophene-3-carbonyl)amino]-2-methylpropanoic acid
CID 79795737
3,3,3-Trifluoro-2-methyl-2-(thiophene-3-carbonylamino)propanoic acid
CID 79796246
2-[(5-Bromothiophene-3-carbonyl)amino]-3,3,3-trifluoro-2-methylpropanoic acid
CID 79796326
2-[(4-Methylthiophene-3-carbonyl)-(2,2,2-trifluoroethyl)amino]acetic acid
CID 79802592
4,4,4-Trifluoro-2-(thiophene-3-carbonylamino)butanoic acid
CID 121642648
4,4,4-Trifluoro-2-[(4-methylthiophene-3-carbonyl)amino]butanoic acid
CID 121642819
4,4-Difluoro-2-[(4-methylthiophene-3-carbonyl)amino]butanoic acid
CID 121652147
3-Fluoro-2-[(4-methylthiophene-3-carbonyl)amino]propanoic acid
CID 121945421
3-Fluoro-2-(thiophene-3-carbonylamino)propanoic acid
CID 121946200
2-[[4-(Difluoromethyl)thiophene-3-carbonyl]-methylamino]acetic acid
CID 145910329
2-[Cyclopropyl-[4-(difluoromethyl)thiophene-3-carbonyl]amino]acetic acid
CID 145910331

Frequently Asked Questions

What is the IUPAC name of 3,3,3-trifluoro-2-methyl-2-[(4-methylthiophene-3-carbonyl)amino]propanoic acid?
The IUPAC name of 3,3,3-trifluoro-2-methyl-2-[(4-methylthiophene-3-carbonyl)amino]propanoic acid (CID 79803408) is 3,3,3-trifluoro-2-methyl-2-[(4-methylthiophene-3-carbonyl)amino]propanoic acid.
What is the SMILES notation for 3,3,3-trifluoro-2-methyl-2-[(4-methylthiophene-3-carbonyl)amino]propanoic acid?
The canonical SMILES for 3,3,3-trifluoro-2-methyl-2-[(4-methylthiophene-3-carbonyl)amino]propanoic acid is Cc1cscc1C(=O)NC(C)(C(=O)O)C(F)(F)F.
What is the InChIKey of 3,3,3-trifluoro-2-methyl-2-[(4-methylthiophene-3-carbonyl)amino]propanoic acid?
The InChIKey is HCPVFBVWOKYSEI-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H10F3NO3S/c1-5-3-18-4-6(5)7(15)14-9(2,8(16)17)10(11,12)13/h3-4H,1-2H3,(H,14,15)(H,16,17).
What are the key properties of 3,3,3-trifluoro-2-methyl-2-[(4-methylthiophene-3-carbonyl)amino]propanoic acid?
3,3,3-trifluoro-2-methyl-2-[(4-methylthiophene-3-carbonyl)amino]propanoic acid has a molecular weight of 281.25 g/mol, XLogP of 2.19, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3,3,3-trifluoro-2-methyl-2-[(4-methylthiophene-3-carbonyl)amino]propanoic acid is sourced from PubChem (CID 79803408), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).