2-[(3-methylcyclobutyl)carbamoyl-(2,2,2-trifluoroethyl)amino]acetic acid

C10H15F3N2O3 — CID 113364245

IUPAC2-[(3-methylcyclobutyl)carbamoyl-(2,2,2-trifluoroethyl)amino]acetic acid
SMILESCC1CC(NC(=O)N(CC(=O)O)CC(F)(F)F)C1
InChIInChI=1S/C10H15F3N2O3/c1-6-2-7(3-6)14-9(18)15(4-8(16)17)5-10(11,12)13/h6-7H,2-5H2,1H3,(H,14,18)(H,16,17)
InChIKeyCNIIEYPGZHKTNG-UHFFFAOYSA-N
MW268.23 g/mol
LogP1.44
Rot. Bonds4

About 2-[(3-methylcyclobutyl)carbamoyl-(2,2,2-trifluoroethyl)amino]acetic acid

2-[(3-methylcyclobutyl)carbamoyl-(2,2,2-trifluoroethyl)amino]acetic acid (PubChem CID 113364245) has the molecular formula C10H15F3N2O3 and a molecular weight of 268.23 g/mol. Its IUPAC name is 2-[(3-methylcyclobutyl)carbamoyl-(2,2,2-trifluoroethyl)amino]acetic acid.

Molecular Properties

Compound Name2-[(3-methylcyclobutyl)carbamoyl-(2,2,2-trifluoroethyl)amino]acetic acid
PubChem CID113364245
Molecular FormulaC10H15F3N2O3
Molecular Weight268.23 g/mol
Exact Mass268.10
IUPAC Name2-[(3-methylcyclobutyl)carbamoyl-(2,2,2-trifluoroethyl)amino]acetic acid
SMILESCC1CC(NC(=O)N(CC(=O)O)CC(F)(F)F)C1
InChIInChI=1S/C10H15F3N2O3/c1-6-2-7(3-6)14-9(18)15(4-8(16)17)5-10(11,12)13/h6-7H,2-5H2,1H3,(H,14,18)(H,16,17)
InChIKeyCNIIEYPGZHKTNG-UHFFFAOYSA-N
XLogP1.44
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 ≤ 51.44
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 2-[(3-methylcyclobutyl)carbamoyl-(2,2,2-trifluoroethyl)amino]acetic acid?
The IUPAC name of 2-[(3-methylcyclobutyl)carbamoyl-(2,2,2-trifluoroethyl)amino]acetic acid (CID 113364245) is 2-[(3-methylcyclobutyl)carbamoyl-(2,2,2-trifluoroethyl)amino]acetic acid.
What is the SMILES notation for 2-[(3-methylcyclobutyl)carbamoyl-(2,2,2-trifluoroethyl)amino]acetic acid?
The canonical SMILES for 2-[(3-methylcyclobutyl)carbamoyl-(2,2,2-trifluoroethyl)amino]acetic acid is CC1CC(NC(=O)N(CC(=O)O)CC(F)(F)F)C1.
What is the InChIKey of 2-[(3-methylcyclobutyl)carbamoyl-(2,2,2-trifluoroethyl)amino]acetic acid?
The InChIKey is CNIIEYPGZHKTNG-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H15F3N2O3/c1-6-2-7(3-6)14-9(18)15(4-8(16)17)5-10(11,12)13/h6-7H,2-5H2,1H3,(H,14,18)(H,16,17).
What are the key properties of 2-[(3-methylcyclobutyl)carbamoyl-(2,2,2-trifluoroethyl)amino]acetic acid?
2-[(3-methylcyclobutyl)carbamoyl-(2,2,2-trifluoroethyl)amino]acetic acid has a molecular weight of 268.23 g/mol, XLogP of 1.44, 4 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(3-methylcyclobutyl)carbamoyl-(2,2,2-trifluoroethyl)amino]acetic acid is sourced from PubChem (CID 113364245), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).