2-[(2-amino-3-methylpentanoyl)amino]-3,3,3-trifluoro-2-methylpropanoic acid

C10H17F3N2O3 — CID 113251121

IUPAC2-[(2-amino-3-methylpentanoyl)amino]-3,3,3-trifluoro-2-methylpropanoic acid
SMILESCCC(C)C(N)C(=O)NC(C)(C(=O)O)C(F)(F)F
InChIInChI=1S/C10H17F3N2O3/c1-4-5(2)6(14)7(16)15-9(3,8(17)18)10(11,12)13/h5-6H,4,14H2,1-3H3,(H,15,16)(H,17,18)
InChIKeyWCJZLSGDHFCXEU-UHFFFAOYSA-N
MW270.25 g/mol
LogP0.88
Rot. Bonds5

About 2-[(2-amino-3-methylpentanoyl)amino]-3,3,3-trifluoro-2-methylpropanoic acid

2-[(2-amino-3-methylpentanoyl)amino]-3,3,3-trifluoro-2-methylpropanoic acid (PubChem CID 113251121) has the molecular formula C10H17F3N2O3 and a molecular weight of 270.25 g/mol. Its IUPAC name is 2-[(2-amino-3-methylpentanoyl)amino]-3,3,3-trifluoro-2-methylpropanoic acid.

Molecular Properties

Compound Name2-[(2-amino-3-methylpentanoyl)amino]-3,3,3-trifluoro-2-methylpropanoic acid
PubChem CID113251121
Molecular FormulaC10H17F3N2O3
Molecular Weight270.25 g/mol
Exact Mass270.12
IUPAC Name2-[(2-amino-3-methylpentanoyl)amino]-3,3,3-trifluoro-2-methylpropanoic acid
SMILESCCC(C)C(N)C(=O)NC(C)(C(=O)O)C(F)(F)F
InChIInChI=1S/C10H17F3N2O3/c1-4-5(2)6(14)7(16)15-9(3,8(17)18)10(11,12)13/h5-6H,4,14H2,1-3H3,(H,15,16)(H,17,18)
InChIKeyWCJZLSGDHFCXEU-UHFFFAOYSA-N
XLogP0.88
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 ≤ 50.88
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Related Compounds

L-Leucyl-L-alanine
CID 81721
Ala-Ile
CID 7408079
Glycylisoleucine
CID 259613
IV
CID 435949
Ile-Leu
CID 7019083
Ile-Val
CID 449407
glycyl-L-isoleucine
CID 88079
Leucylvaline
CID 352038
Isoleucylisoleucine
CID 13879965
Isoleucylglycine
CID 342532
Leucyl-Isoleucine
CID 435718
Ile-Ile
CID 7010568

Frequently Asked Questions

What is the IUPAC name of 2-[(2-amino-3-methylpentanoyl)amino]-3,3,3-trifluoro-2-methylpropanoic acid?
The IUPAC name of 2-[(2-amino-3-methylpentanoyl)amino]-3,3,3-trifluoro-2-methylpropanoic acid (CID 113251121) is 2-[(2-amino-3-methylpentanoyl)amino]-3,3,3-trifluoro-2-methylpropanoic acid.
What is the SMILES notation for 2-[(2-amino-3-methylpentanoyl)amino]-3,3,3-trifluoro-2-methylpropanoic acid?
The canonical SMILES for 2-[(2-amino-3-methylpentanoyl)amino]-3,3,3-trifluoro-2-methylpropanoic acid is CCC(C)C(N)C(=O)NC(C)(C(=O)O)C(F)(F)F.
What is the InChIKey of 2-[(2-amino-3-methylpentanoyl)amino]-3,3,3-trifluoro-2-methylpropanoic acid?
The InChIKey is WCJZLSGDHFCXEU-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H17F3N2O3/c1-4-5(2)6(14)7(16)15-9(3,8(17)18)10(11,12)13/h5-6H,4,14H2,1-3H3,(H,15,16)(H,17,18).
What are the key properties of 2-[(2-amino-3-methylpentanoyl)amino]-3,3,3-trifluoro-2-methylpropanoic acid?
2-[(2-amino-3-methylpentanoyl)amino]-3,3,3-trifluoro-2-methylpropanoic acid has a molecular weight of 270.25 g/mol, XLogP of 0.88, 5 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(2-amino-3-methylpentanoyl)amino]-3,3,3-trifluoro-2-methylpropanoic acid is sourced from PubChem (CID 113251121), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).