3-[[cyclopropyl(2,2,2-trifluoroethyl)carbamoyl]amino]-2-methylpropanoic acid

C10H15F3N2O3 — CID 62668852

IUPAC3-[[cyclopropyl(2,2,2-trifluoroethyl)carbamoyl]amino]-2-methylpropanoic acid
SMILESCC(CNC(=O)N(CC(F)(F)F)C1CC1)C(=O)O
InChIInChI=1S/C10H15F3N2O3/c1-6(8(16)17)4-14-9(18)15(7-2-3-7)5-10(11,12)13/h6-7H,2-5H2,1H3,(H,14,18)(H,16,17)
InChIKeyBJLLFOCEMBHLFL-UHFFFAOYSA-N
MW268.23 g/mol
LogP1.44
Rot. Bonds5

About 3-[[cyclopropyl(2,2,2-trifluoroethyl)carbamoyl]amino]-2-methylpropanoic acid

3-[[cyclopropyl(2,2,2-trifluoroethyl)carbamoyl]amino]-2-methylpropanoic acid (PubChem CID 62668852) has the molecular formula C10H15F3N2O3 and a molecular weight of 268.23 g/mol. Its IUPAC name is 3-[[cyclopropyl(2,2,2-trifluoroethyl)carbamoyl]amino]-2-methylpropanoic acid.

Molecular Properties

Compound Name3-[[cyclopropyl(2,2,2-trifluoroethyl)carbamoyl]amino]-2-methylpropanoic acid
PubChem CID62668852
Molecular FormulaC10H15F3N2O3
Molecular Weight268.23 g/mol
Exact Mass268.10
IUPAC Name3-[[cyclopropyl(2,2,2-trifluoroethyl)carbamoyl]amino]-2-methylpropanoic acid
SMILESCC(CNC(=O)N(CC(F)(F)F)C1CC1)C(=O)O
InChIInChI=1S/C10H15F3N2O3/c1-6(8(16)17)4-14-9(18)15(7-2-3-7)5-10(11,12)13/h6-7H,2-5H2,1H3,(H,14,18)(H,16,17)
InChIKeyBJLLFOCEMBHLFL-UHFFFAOYSA-N
XLogP1.44
TPSA69.64 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds5
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 3-[[cyclopropyl(2,2,2-trifluoroethyl)carbamoyl]amino]-2-methylpropanoic acid?
The IUPAC name of 3-[[cyclopropyl(2,2,2-trifluoroethyl)carbamoyl]amino]-2-methylpropanoic acid (CID 62668852) is 3-[[cyclopropyl(2,2,2-trifluoroethyl)carbamoyl]amino]-2-methylpropanoic acid.
What is the SMILES notation for 3-[[cyclopropyl(2,2,2-trifluoroethyl)carbamoyl]amino]-2-methylpropanoic acid?
The canonical SMILES for 3-[[cyclopropyl(2,2,2-trifluoroethyl)carbamoyl]amino]-2-methylpropanoic acid is CC(CNC(=O)N(CC(F)(F)F)C1CC1)C(=O)O.
What is the InChIKey of 3-[[cyclopropyl(2,2,2-trifluoroethyl)carbamoyl]amino]-2-methylpropanoic acid?
The InChIKey is BJLLFOCEMBHLFL-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H15F3N2O3/c1-6(8(16)17)4-14-9(18)15(7-2-3-7)5-10(11,12)13/h6-7H,2-5H2,1H3,(H,14,18)(H,16,17).
What are the key properties of 3-[[cyclopropyl(2,2,2-trifluoroethyl)carbamoyl]amino]-2-methylpropanoic acid?
3-[[cyclopropyl(2,2,2-trifluoroethyl)carbamoyl]amino]-2-methylpropanoic acid has a molecular weight of 268.23 g/mol, XLogP of 1.44, 5 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[[cyclopropyl(2,2,2-trifluoroethyl)carbamoyl]amino]-2-methylpropanoic acid is sourced from PubChem (CID 62668852), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).