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

C13H21F3N2O3 — CID 65263900

IUPAC3-[[cyclopropyl(2,2,2-trifluoroethyl)carbamoyl]amino]-2,2,3-trimethylbutanoic acid
SMILESCC(C)(NC(=O)N(CC(F)(F)F)C1CC1)C(C)(C)C(=O)O
InChIInChI=1S/C13H21F3N2O3/c1-11(2,9(19)20)12(3,4)17-10(21)18(8-5-6-8)7-13(14,15)16/h8H,5-7H2,1-4H3,(H,17,21)(H,19,20)
InChIKeyLMMXQPYKGKTHJE-UHFFFAOYSA-N
MW310.32 g/mol
LogP2.61
Rot. Bonds5

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

3-[[cyclopropyl(2,2,2-trifluoroethyl)carbamoyl]amino]-2,2,3-trimethylbutanoic acid (PubChem CID 65263900) has the molecular formula C13H21F3N2O3 and a molecular weight of 310.32 g/mol. Its IUPAC name is 3-[[cyclopropyl(2,2,2-trifluoroethyl)carbamoyl]amino]-2,2,3-trimethylbutanoic acid.

Molecular Properties

Compound Name3-[[cyclopropyl(2,2,2-trifluoroethyl)carbamoyl]amino]-2,2,3-trimethylbutanoic acid
PubChem CID65263900
Molecular FormulaC13H21F3N2O3
Molecular Weight310.32 g/mol
Exact Mass310.15
IUPAC Name3-[[cyclopropyl(2,2,2-trifluoroethyl)carbamoyl]amino]-2,2,3-trimethylbutanoic acid
SMILESCC(C)(NC(=O)N(CC(F)(F)F)C1CC1)C(C)(C)C(=O)O
InChIInChI=1S/C13H21F3N2O3/c1-11(2,9(19)20)12(3,4)17-10(21)18(8-5-6-8)7-13(14,15)16/h8H,5-7H2,1-4H3,(H,17,21)(H,19,20)
InChIKeyLMMXQPYKGKTHJE-UHFFFAOYSA-N
XLogP2.61
TPSA69.64 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500310.32
LogP ≤ 52.61
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]-2,2,3-trimethylbutanoic acid?
The IUPAC name of 3-[[cyclopropyl(2,2,2-trifluoroethyl)carbamoyl]amino]-2,2,3-trimethylbutanoic acid (CID 65263900) is 3-[[cyclopropyl(2,2,2-trifluoroethyl)carbamoyl]amino]-2,2,3-trimethylbutanoic acid.
What is the SMILES notation for 3-[[cyclopropyl(2,2,2-trifluoroethyl)carbamoyl]amino]-2,2,3-trimethylbutanoic acid?
The canonical SMILES for 3-[[cyclopropyl(2,2,2-trifluoroethyl)carbamoyl]amino]-2,2,3-trimethylbutanoic acid is CC(C)(NC(=O)N(CC(F)(F)F)C1CC1)C(C)(C)C(=O)O.
What is the InChIKey of 3-[[cyclopropyl(2,2,2-trifluoroethyl)carbamoyl]amino]-2,2,3-trimethylbutanoic acid?
The InChIKey is LMMXQPYKGKTHJE-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H21F3N2O3/c1-11(2,9(19)20)12(3,4)17-10(21)18(8-5-6-8)7-13(14,15)16/h8H,5-7H2,1-4H3,(H,17,21)(H,19,20).
What are the key properties of 3-[[cyclopropyl(2,2,2-trifluoroethyl)carbamoyl]amino]-2,2,3-trimethylbutanoic acid?
3-[[cyclopropyl(2,2,2-trifluoroethyl)carbamoyl]amino]-2,2,3-trimethylbutanoic acid has a molecular weight of 310.32 g/mol, XLogP of 2.61, 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]-2,2,3-trimethylbutanoic acid is sourced from PubChem (CID 65263900), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).