4-[(2-amino-3,3,3-trifluoro-2-methylpropanoyl)amino]-4-methylpentanoic acid

C10H17F3N2O3 — CID 79811551

IUPAC4-[(2-amino-3,3,3-trifluoro-2-methylpropanoyl)amino]-4-methylpentanoic acid
SMILESCC(C)(CCC(=O)O)NC(=O)C(C)(N)C(F)(F)F
InChIInChI=1S/C10H17F3N2O3/c1-8(2,5-4-6(16)17)15-7(18)9(3,14)10(11,12)13/h4-5,14H2,1-3H3,(H,15,18)(H,16,17)
InChIKeyUATPPEDHWJOFIT-UHFFFAOYSA-N
MW270.25 g/mol
LogP1.03
Rot. Bonds5

About 4-[(2-amino-3,3,3-trifluoro-2-methylpropanoyl)amino]-4-methylpentanoic acid

4-[(2-amino-3,3,3-trifluoro-2-methylpropanoyl)amino]-4-methylpentanoic acid (PubChem CID 79811551) has the molecular formula C10H17F3N2O3 and a molecular weight of 270.25 g/mol. Its IUPAC name is 4-[(2-amino-3,3,3-trifluoro-2-methylpropanoyl)amino]-4-methylpentanoic acid.

Molecular Properties

Compound Name4-[(2-amino-3,3,3-trifluoro-2-methylpropanoyl)amino]-4-methylpentanoic acid
PubChem CID79811551
Molecular FormulaC10H17F3N2O3
Molecular Weight270.25 g/mol
Exact Mass270.12
IUPAC Name4-[(2-amino-3,3,3-trifluoro-2-methylpropanoyl)amino]-4-methylpentanoic acid
SMILESCC(C)(CCC(=O)O)NC(=O)C(C)(N)C(F)(F)F
InChIInChI=1S/C10H17F3N2O3/c1-8(2,5-4-6(16)17)15-7(18)9(3,14)10(11,12)13/h4-5,14H2,1-3H3,(H,15,18)(H,16,17)
InChIKeyUATPPEDHWJOFIT-UHFFFAOYSA-N
XLogP1.03
TPSA92.42 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500270.25
LogP ≤ 51.03
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 4-[(2-amino-3,3,3-trifluoro-2-methylpropanoyl)amino]-4-methylpentanoic acid?
The IUPAC name of 4-[(2-amino-3,3,3-trifluoro-2-methylpropanoyl)amino]-4-methylpentanoic acid (CID 79811551) is 4-[(2-amino-3,3,3-trifluoro-2-methylpropanoyl)amino]-4-methylpentanoic acid.
What is the SMILES notation for 4-[(2-amino-3,3,3-trifluoro-2-methylpropanoyl)amino]-4-methylpentanoic acid?
The canonical SMILES for 4-[(2-amino-3,3,3-trifluoro-2-methylpropanoyl)amino]-4-methylpentanoic acid is CC(C)(CCC(=O)O)NC(=O)C(C)(N)C(F)(F)F.
What is the InChIKey of 4-[(2-amino-3,3,3-trifluoro-2-methylpropanoyl)amino]-4-methylpentanoic acid?
The InChIKey is UATPPEDHWJOFIT-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H17F3N2O3/c1-8(2,5-4-6(16)17)15-7(18)9(3,14)10(11,12)13/h4-5,14H2,1-3H3,(H,15,18)(H,16,17).
What are the key properties of 4-[(2-amino-3,3,3-trifluoro-2-methylpropanoyl)amino]-4-methylpentanoic acid?
4-[(2-amino-3,3,3-trifluoro-2-methylpropanoyl)amino]-4-methylpentanoic acid has a molecular weight of 270.25 g/mol, XLogP of 1.03, 5 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(2-amino-3,3,3-trifluoro-2-methylpropanoyl)amino]-4-methylpentanoic acid is sourced from PubChem (CID 79811551), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).