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

C10H15F3N2O3 — CID 55009662

IUPAC2-[[cyclopropyl(2,2,2-trifluoroethyl)carbamoyl]amino]-2-methylpropanoic acid
SMILESCC(C)(NC(=O)N(CC(F)(F)F)C1CC1)C(=O)O
InChIInChI=1S/C10H15F3N2O3/c1-9(2,7(16)17)14-8(18)15(6-3-4-6)5-10(11,12)13/h6H,3-5H2,1-2H3,(H,14,18)(H,16,17)
InChIKeyYYGVVOMPEBNAOD-UHFFFAOYSA-N
MW268.23 g/mol
LogP1.59
Rot. Bonds4

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

2-[[cyclopropyl(2,2,2-trifluoroethyl)carbamoyl]amino]-2-methylpropanoic acid (PubChem CID 55009662) has the molecular formula C10H15F3N2O3 and a molecular weight of 268.23 g/mol. Its IUPAC name is 2-[[cyclopropyl(2,2,2-trifluoroethyl)carbamoyl]amino]-2-methylpropanoic acid.

Molecular Properties

Compound Name2-[[cyclopropyl(2,2,2-trifluoroethyl)carbamoyl]amino]-2-methylpropanoic acid
PubChem CID55009662
Molecular FormulaC10H15F3N2O3
Molecular Weight268.23 g/mol
Exact Mass268.10
IUPAC Name2-[[cyclopropyl(2,2,2-trifluoroethyl)carbamoyl]amino]-2-methylpropanoic acid
SMILESCC(C)(NC(=O)N(CC(F)(F)F)C1CC1)C(=O)O
InChIInChI=1S/C10H15F3N2O3/c1-9(2,7(16)17)14-8(18)15(6-3-4-6)5-10(11,12)13/h6H,3-5H2,1-2H3,(H,14,18)(H,16,17)
InChIKeyYYGVVOMPEBNAOD-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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Related Compounds

2-Methyl-2-(2,2,2-trifluoroethylcarbamoylamino)butanoic acid
CID 16782299
2-Methyl-2-(2,2,2-trifluoroethylcarbamoylamino)propanoic acid
CID 16786220
2-(2,2,2-Trifluoroethylcarbamoylamino)propanoic acid
CID 16788156
2-[Cyclopropyl-[methyl(2,2,2-trifluoroethyl)carbamoyl]amino]acetic acid
CID 54978392
3-Methyl-2-[[propyl(2,2,2-trifluoroethyl)carbamoyl]amino]butanoic acid
CID 55009419
2-[[Propyl(2,2,2-trifluoroethyl)carbamoyl]amino]propanoic acid
CID 55009420
2-[[Propyl(2,2,2-trifluoroethyl)carbamoyl]amino]butanoic acid
CID 55009469
2-[[Ethyl(2,2,2-trifluoroethyl)carbamoyl]amino]-2-methylpropanoic acid
CID 55009511
2-[Cyclopropyl-[propyl(2,2,2-trifluoroethyl)carbamoyl]amino]acetic acid
CID 55009518
(2S)-2-[[cyclopropyl(2,2,2-trifluoroethyl)carbamoyl]amino]-3-methylbutanoic acid
CID 55009565
(2S)-2-[[propyl(2,2,2-trifluoroethyl)carbamoyl]amino]propanoic acid
CID 55009566
2-[[Cyclopropyl(2,2,2-trifluoroethyl)carbamoyl]-methylamino]acetic acid
CID 55009611

Frequently Asked Questions

What is the IUPAC name of 2-[[cyclopropyl(2,2,2-trifluoroethyl)carbamoyl]amino]-2-methylpropanoic acid?
The IUPAC name of 2-[[cyclopropyl(2,2,2-trifluoroethyl)carbamoyl]amino]-2-methylpropanoic acid (CID 55009662) is 2-[[cyclopropyl(2,2,2-trifluoroethyl)carbamoyl]amino]-2-methylpropanoic acid.
What is the SMILES notation for 2-[[cyclopropyl(2,2,2-trifluoroethyl)carbamoyl]amino]-2-methylpropanoic acid?
The canonical SMILES for 2-[[cyclopropyl(2,2,2-trifluoroethyl)carbamoyl]amino]-2-methylpropanoic acid is CC(C)(NC(=O)N(CC(F)(F)F)C1CC1)C(=O)O.
What is the InChIKey of 2-[[cyclopropyl(2,2,2-trifluoroethyl)carbamoyl]amino]-2-methylpropanoic acid?
The InChIKey is YYGVVOMPEBNAOD-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H15F3N2O3/c1-9(2,7(16)17)14-8(18)15(6-3-4-6)5-10(11,12)13/h6H,3-5H2,1-2H3,(H,14,18)(H,16,17).
What are the key properties of 2-[[cyclopropyl(2,2,2-trifluoroethyl)carbamoyl]amino]-2-methylpropanoic acid?
2-[[cyclopropyl(2,2,2-trifluoroethyl)carbamoyl]amino]-2-methylpropanoic 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-[[cyclopropyl(2,2,2-trifluoroethyl)carbamoyl]amino]-2-methylpropanoic acid is sourced from PubChem (CID 55009662), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).