3,3,3-trifluoro-2-methyl-2-[(1-methylcyclopentyl)carbamoylamino]propanoic acid

C11H17F3N2O3 — CID 79800856

IUPAC3,3,3-trifluoro-2-methyl-2-[(1-methylcyclopentyl)carbamoylamino]propanoic acid
SMILESCC1(NC(=O)NC(C)(C(=O)O)C(F)(F)F)CCCC1
InChIInChI=1S/C11H17F3N2O3/c1-9(5-3-4-6-9)15-8(19)16-10(2,7(17)18)11(12,13)14/h3-6H2,1-2H3,(H,17,18)(H2,15,16,19)
InChIKeyQFKOCISQLFDFJU-UHFFFAOYSA-N
MW282.26 g/mol
LogP2.02
Rot. Bonds3

About 3,3,3-trifluoro-2-methyl-2-[(1-methylcyclopentyl)carbamoylamino]propanoic acid

3,3,3-trifluoro-2-methyl-2-[(1-methylcyclopentyl)carbamoylamino]propanoic acid (PubChem CID 79800856) has the molecular formula C11H17F3N2O3 and a molecular weight of 282.26 g/mol. Its IUPAC name is 3,3,3-trifluoro-2-methyl-2-[(1-methylcyclopentyl)carbamoylamino]propanoic acid.

Molecular Properties

Compound Name3,3,3-trifluoro-2-methyl-2-[(1-methylcyclopentyl)carbamoylamino]propanoic acid
PubChem CID79800856
Molecular FormulaC11H17F3N2O3
Molecular Weight282.26 g/mol
Exact Mass282.12
IUPAC Name3,3,3-trifluoro-2-methyl-2-[(1-methylcyclopentyl)carbamoylamino]propanoic acid
SMILESCC1(NC(=O)NC(C)(C(=O)O)C(F)(F)F)CCCC1
InChIInChI=1S/C11H17F3N2O3/c1-9(5-3-4-6-9)15-8(19)16-10(2,7(17)18)11(12,13)14/h3-6H2,1-2H3,(H,17,18)(H2,15,16,19)
InChIKeyQFKOCISQLFDFJU-UHFFFAOYSA-N
XLogP2.02
TPSA78.43 Ų
H-Bond Donors3
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500282.26
LogP ≤ 52.02
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 3,3,3-trifluoro-2-methyl-2-[(1-methylcyclopentyl)carbamoylamino]propanoic acid?
The IUPAC name of 3,3,3-trifluoro-2-methyl-2-[(1-methylcyclopentyl)carbamoylamino]propanoic acid (CID 79800856) is 3,3,3-trifluoro-2-methyl-2-[(1-methylcyclopentyl)carbamoylamino]propanoic acid.
What is the SMILES notation for 3,3,3-trifluoro-2-methyl-2-[(1-methylcyclopentyl)carbamoylamino]propanoic acid?
The canonical SMILES for 3,3,3-trifluoro-2-methyl-2-[(1-methylcyclopentyl)carbamoylamino]propanoic acid is CC1(NC(=O)NC(C)(C(=O)O)C(F)(F)F)CCCC1.
What is the InChIKey of 3,3,3-trifluoro-2-methyl-2-[(1-methylcyclopentyl)carbamoylamino]propanoic acid?
The InChIKey is QFKOCISQLFDFJU-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H17F3N2O3/c1-9(5-3-4-6-9)15-8(19)16-10(2,7(17)18)11(12,13)14/h3-6H2,1-2H3,(H,17,18)(H2,15,16,19).
What are the key properties of 3,3,3-trifluoro-2-methyl-2-[(1-methylcyclopentyl)carbamoylamino]propanoic acid?
3,3,3-trifluoro-2-methyl-2-[(1-methylcyclopentyl)carbamoylamino]propanoic acid has a molecular weight of 282.26 g/mol, XLogP of 2.02, 3 rotatable bonds, 3 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3,3,3-trifluoro-2-methyl-2-[(1-methylcyclopentyl)carbamoylamino]propanoic acid is sourced from PubChem (CID 79800856), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).