4-[propan-2-yl(2,2,2-trifluoroethylcarbamoyl)amino]butanoic acid

C10H17F3N2O3 — CID 61185923

IUPAC4-[propan-2-yl(2,2,2-trifluoroethylcarbamoyl)amino]butanoic acid
SMILESCC(C)N(CCCC(=O)O)C(=O)NCC(F)(F)F
InChIInChI=1S/C10H17F3N2O3/c1-7(2)15(5-3-4-8(16)17)9(18)14-6-10(11,12)13/h7H,3-6H2,1-2H3,(H,14,18)(H,16,17)
InChIKeyXXWMPKLTOHQCMV-UHFFFAOYSA-N
MW270.25 g/mol
LogP1.83
Rot. Bonds6

About 4-[propan-2-yl(2,2,2-trifluoroethylcarbamoyl)amino]butanoic acid

4-[propan-2-yl(2,2,2-trifluoroethylcarbamoyl)amino]butanoic acid (PubChem CID 61185923) has the molecular formula C10H17F3N2O3 and a molecular weight of 270.25 g/mol. Its IUPAC name is 4-[propan-2-yl(2,2,2-trifluoroethylcarbamoyl)amino]butanoic acid.

Molecular Properties

Compound Name4-[propan-2-yl(2,2,2-trifluoroethylcarbamoyl)amino]butanoic acid
PubChem CID61185923
Molecular FormulaC10H17F3N2O3
Molecular Weight270.25 g/mol
Exact Mass270.12
IUPAC Name4-[propan-2-yl(2,2,2-trifluoroethylcarbamoyl)amino]butanoic acid
SMILESCC(C)N(CCCC(=O)O)C(=O)NCC(F)(F)F
InChIInChI=1S/C10H17F3N2O3/c1-7(2)15(5-3-4-8(16)17)9(18)14-6-10(11,12)13/h7H,3-6H2,1-2H3,(H,14,18)(H,16,17)
InChIKeyXXWMPKLTOHQCMV-UHFFFAOYSA-N
XLogP1.83
TPSA69.64 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500270.25
LogP ≤ 51.83
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 4-[propan-2-yl(2,2,2-trifluoroethylcarbamoyl)amino]butanoic acid?
The IUPAC name of 4-[propan-2-yl(2,2,2-trifluoroethylcarbamoyl)amino]butanoic acid (CID 61185923) is 4-[propan-2-yl(2,2,2-trifluoroethylcarbamoyl)amino]butanoic acid.
What is the SMILES notation for 4-[propan-2-yl(2,2,2-trifluoroethylcarbamoyl)amino]butanoic acid?
The canonical SMILES for 4-[propan-2-yl(2,2,2-trifluoroethylcarbamoyl)amino]butanoic acid is CC(C)N(CCCC(=O)O)C(=O)NCC(F)(F)F.
What is the InChIKey of 4-[propan-2-yl(2,2,2-trifluoroethylcarbamoyl)amino]butanoic acid?
The InChIKey is XXWMPKLTOHQCMV-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H17F3N2O3/c1-7(2)15(5-3-4-8(16)17)9(18)14-6-10(11,12)13/h7H,3-6H2,1-2H3,(H,14,18)(H,16,17).
What are the key properties of 4-[propan-2-yl(2,2,2-trifluoroethylcarbamoyl)amino]butanoic acid?
4-[propan-2-yl(2,2,2-trifluoroethylcarbamoyl)amino]butanoic acid has a molecular weight of 270.25 g/mol, XLogP of 1.83, 6 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[propan-2-yl(2,2,2-trifluoroethylcarbamoyl)amino]butanoic acid is sourced from PubChem (CID 61185923), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).