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

C11H17F3N2O3 — CID 55009808

IUPAC2-[[cyclopropyl(2,2,2-trifluoroethyl)carbamoyl]amino]-3-methylbutanoic acid
SMILESCC(C)C(NC(=O)N(CC(F)(F)F)C1CC1)C(=O)O
InChIInChI=1S/C11H17F3N2O3/c1-6(2)8(9(17)18)15-10(19)16(7-3-4-7)5-11(12,13)14/h6-8H,3-5H2,1-2H3,(H,15,19)(H,17,18)
InChIKeyAQMGHFUBZFPYGO-UHFFFAOYSA-N
MW282.26 g/mol
LogP1.83
Rot. Bonds5

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

2-[[cyclopropyl(2,2,2-trifluoroethyl)carbamoyl]amino]-3-methylbutanoic acid (PubChem CID 55009808) has the molecular formula C11H17F3N2O3 and a molecular weight of 282.26 g/mol. Its IUPAC name is 2-[[cyclopropyl(2,2,2-trifluoroethyl)carbamoyl]amino]-3-methylbutanoic acid.

Molecular Properties

Compound Name2-[[cyclopropyl(2,2,2-trifluoroethyl)carbamoyl]amino]-3-methylbutanoic acid
PubChem CID55009808
Molecular FormulaC11H17F3N2O3
Molecular Weight282.26 g/mol
Exact Mass282.12
IUPAC Name2-[[cyclopropyl(2,2,2-trifluoroethyl)carbamoyl]amino]-3-methylbutanoic acid
SMILESCC(C)C(NC(=O)N(CC(F)(F)F)C1CC1)C(=O)O
InChIInChI=1S/C11H17F3N2O3/c1-6(2)8(9(17)18)15-10(19)16(7-3-4-7)5-11(12,13)14/h6-8H,3-5H2,1-2H3,(H,15,19)(H,17,18)
InChIKeyAQMGHFUBZFPYGO-UHFFFAOYSA-N
XLogP1.83
TPSA69.64 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500282.26
LogP ≤ 51.83
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 2-[[cyclopropyl(2,2,2-trifluoroethyl)carbamoyl]amino]-3-methylbutanoic acid?
The IUPAC name of 2-[[cyclopropyl(2,2,2-trifluoroethyl)carbamoyl]amino]-3-methylbutanoic acid (CID 55009808) is 2-[[cyclopropyl(2,2,2-trifluoroethyl)carbamoyl]amino]-3-methylbutanoic acid.
What is the SMILES notation for 2-[[cyclopropyl(2,2,2-trifluoroethyl)carbamoyl]amino]-3-methylbutanoic acid?
The canonical SMILES for 2-[[cyclopropyl(2,2,2-trifluoroethyl)carbamoyl]amino]-3-methylbutanoic acid is CC(C)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]-3-methylbutanoic acid?
The InChIKey is AQMGHFUBZFPYGO-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H17F3N2O3/c1-6(2)8(9(17)18)15-10(19)16(7-3-4-7)5-11(12,13)14/h6-8H,3-5H2,1-2H3,(H,15,19)(H,17,18).
What are the key properties of 2-[[cyclopropyl(2,2,2-trifluoroethyl)carbamoyl]amino]-3-methylbutanoic acid?
2-[[cyclopropyl(2,2,2-trifluoroethyl)carbamoyl]amino]-3-methylbutanoic acid has a molecular weight of 282.26 g/mol, XLogP of 1.83, 5 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]-3-methylbutanoic acid is sourced from PubChem (CID 55009808), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).