4-[propan-2-yl(3,3,3-trifluoropropylcarbamoyl)amino]butanoic acid

C11H19F3N2O3 — CID 55175535

IUPAC4-[propan-2-yl(3,3,3-trifluoropropylcarbamoyl)amino]butanoic acid
SMILESCC(C)N(CCCC(=O)O)C(=O)NCCC(F)(F)F
InChIInChI=1S/C11H19F3N2O3/c1-8(2)16(7-3-4-9(17)18)10(19)15-6-5-11(12,13)14/h8H,3-7H2,1-2H3,(H,15,19)(H,17,18)
InChIKeyFROANBCTRNPIHI-UHFFFAOYSA-N
MW284.28 g/mol
LogP2.22
Rot. Bonds7

About 4-[propan-2-yl(3,3,3-trifluoropropylcarbamoyl)amino]butanoic acid

4-[propan-2-yl(3,3,3-trifluoropropylcarbamoyl)amino]butanoic acid (PubChem CID 55175535) has the molecular formula C11H19F3N2O3 and a molecular weight of 284.28 g/mol. Its IUPAC name is 4-[propan-2-yl(3,3,3-trifluoropropylcarbamoyl)amino]butanoic acid.

Molecular Properties

Compound Name4-[propan-2-yl(3,3,3-trifluoropropylcarbamoyl)amino]butanoic acid
PubChem CID55175535
Molecular FormulaC11H19F3N2O3
Molecular Weight284.28 g/mol
Exact Mass284.13
IUPAC Name4-[propan-2-yl(3,3,3-trifluoropropylcarbamoyl)amino]butanoic acid
SMILESCC(C)N(CCCC(=O)O)C(=O)NCCC(F)(F)F
InChIInChI=1S/C11H19F3N2O3/c1-8(2)16(7-3-4-9(17)18)10(19)15-6-5-11(12,13)14/h8H,3-7H2,1-2H3,(H,15,19)(H,17,18)
InChIKeyFROANBCTRNPIHI-UHFFFAOYSA-N
XLogP2.22
TPSA69.64 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500284.28
LogP ≤ 52.22
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(3,3,3-trifluoropropylcarbamoyl)amino]butanoic acid?
The IUPAC name of 4-[propan-2-yl(3,3,3-trifluoropropylcarbamoyl)amino]butanoic acid (CID 55175535) is 4-[propan-2-yl(3,3,3-trifluoropropylcarbamoyl)amino]butanoic acid.
What is the SMILES notation for 4-[propan-2-yl(3,3,3-trifluoropropylcarbamoyl)amino]butanoic acid?
The canonical SMILES for 4-[propan-2-yl(3,3,3-trifluoropropylcarbamoyl)amino]butanoic acid is CC(C)N(CCCC(=O)O)C(=O)NCCC(F)(F)F.
What is the InChIKey of 4-[propan-2-yl(3,3,3-trifluoropropylcarbamoyl)amino]butanoic acid?
The InChIKey is FROANBCTRNPIHI-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H19F3N2O3/c1-8(2)16(7-3-4-9(17)18)10(19)15-6-5-11(12,13)14/h8H,3-7H2,1-2H3,(H,15,19)(H,17,18).
What are the key properties of 4-[propan-2-yl(3,3,3-trifluoropropylcarbamoyl)amino]butanoic acid?
4-[propan-2-yl(3,3,3-trifluoropropylcarbamoyl)amino]butanoic acid has a molecular weight of 284.28 g/mol, XLogP of 2.22, 7 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[propan-2-yl(3,3,3-trifluoropropylcarbamoyl)amino]butanoic acid is sourced from PubChem (CID 55175535), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).