2-[1-[[methyl(2,2,2-trifluoroethyl)carbamoyl]amino]cyclobutyl]acetic acid

C10H15F3N2O3 — CID 79851129

IUPAC2-[1-[[methyl(2,2,2-trifluoroethyl)carbamoyl]amino]cyclobutyl]acetic acid
SMILESCN(CC(F)(F)F)C(=O)NC1(CC(=O)O)CCC1
InChIInChI=1S/C10H15F3N2O3/c1-15(6-10(11,12)13)8(18)14-9(3-2-4-9)5-7(16)17/h2-6H2,1H3,(H,14,18)(H,16,17)
InChIKeySBUDFQMWRMGWCA-UHFFFAOYSA-N
MW268.23 g/mol
LogP1.59
Rot. Bonds4

About 2-[1-[[methyl(2,2,2-trifluoroethyl)carbamoyl]amino]cyclobutyl]acetic acid

2-[1-[[methyl(2,2,2-trifluoroethyl)carbamoyl]amino]cyclobutyl]acetic acid (PubChem CID 79851129) has the molecular formula C10H15F3N2O3 and a molecular weight of 268.23 g/mol. Its IUPAC name is 2-[1-[[methyl(2,2,2-trifluoroethyl)carbamoyl]amino]cyclobutyl]acetic acid.

Molecular Properties

Compound Name2-[1-[[methyl(2,2,2-trifluoroethyl)carbamoyl]amino]cyclobutyl]acetic acid
PubChem CID79851129
Molecular FormulaC10H15F3N2O3
Molecular Weight268.23 g/mol
Exact Mass268.10
IUPAC Name2-[1-[[methyl(2,2,2-trifluoroethyl)carbamoyl]amino]cyclobutyl]acetic acid
SMILESCN(CC(F)(F)F)C(=O)NC1(CC(=O)O)CCC1
InChIInChI=1S/C10H15F3N2O3/c1-15(6-10(11,12)13)8(18)14-9(3-2-4-9)5-7(16)17/h2-6H2,1H3,(H,14,18)(H,16,17)
InChIKeySBUDFQMWRMGWCA-UHFFFAOYSA-N
XLogP1.59
TPSA69.64 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500268.23
LogP ≤ 51.59
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 2-[1-[[methyl(2,2,2-trifluoroethyl)carbamoyl]amino]cyclobutyl]acetic acid?
The IUPAC name of 2-[1-[[methyl(2,2,2-trifluoroethyl)carbamoyl]amino]cyclobutyl]acetic acid (CID 79851129) is 2-[1-[[methyl(2,2,2-trifluoroethyl)carbamoyl]amino]cyclobutyl]acetic acid.
What is the SMILES notation for 2-[1-[[methyl(2,2,2-trifluoroethyl)carbamoyl]amino]cyclobutyl]acetic acid?
The canonical SMILES for 2-[1-[[methyl(2,2,2-trifluoroethyl)carbamoyl]amino]cyclobutyl]acetic acid is CN(CC(F)(F)F)C(=O)NC1(CC(=O)O)CCC1.
What is the InChIKey of 2-[1-[[methyl(2,2,2-trifluoroethyl)carbamoyl]amino]cyclobutyl]acetic acid?
The InChIKey is SBUDFQMWRMGWCA-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H15F3N2O3/c1-15(6-10(11,12)13)8(18)14-9(3-2-4-9)5-7(16)17/h2-6H2,1H3,(H,14,18)(H,16,17).
What are the key properties of 2-[1-[[methyl(2,2,2-trifluoroethyl)carbamoyl]amino]cyclobutyl]acetic acid?
2-[1-[[methyl(2,2,2-trifluoroethyl)carbamoyl]amino]cyclobutyl]acetic acid has a molecular weight of 268.23 g/mol, XLogP of 1.59, 4 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[1-[[methyl(2,2,2-trifluoroethyl)carbamoyl]amino]cyclobutyl]acetic acid is sourced from PubChem (CID 79851129), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).