butan-2-yl 3-methyl-2-[(2,2,2-trifluoroacetyl)amino]butanoate

C11H18F3NO3 — CID 597709

IUPACbutan-2-yl 3-methyl-2-[(2,2,2-trifluoroacetyl)amino]butanoate
SMILESCCC(C)OC(=O)C(NC(=O)C(F)(F)F)C(C)C
InChIInChI=1S/C11H18F3NO3/c1-5-7(4)18-9(16)8(6(2)3)15-10(17)11(12,13)14/h6-8H,5H2,1-4H3,(H,15,17)
InChIKeyBXZLFWSHYCWSSH-UHFFFAOYSA-N
MW269.26 g/mol
LogP2.03
Rot. Bonds5

About butan-2-yl 3-methyl-2-[(2,2,2-trifluoroacetyl)amino]butanoate

butan-2-yl 3-methyl-2-[(2,2,2-trifluoroacetyl)amino]butanoate (PubChem CID 597709) has the molecular formula C11H18F3NO3 and a molecular weight of 269.26 g/mol. Its IUPAC name is butan-2-yl 3-methyl-2-[(2,2,2-trifluoroacetyl)amino]butanoate.

Molecular Properties

Compound Namebutan-2-yl 3-methyl-2-[(2,2,2-trifluoroacetyl)amino]butanoate
PubChem CID597709
Molecular FormulaC11H18F3NO3
Molecular Weight269.26 g/mol
Exact Mass269.12
IUPAC Namebutan-2-yl 3-methyl-2-[(2,2,2-trifluoroacetyl)amino]butanoate
SMILESCCC(C)OC(=O)C(NC(=O)C(F)(F)F)C(C)C
InChIInChI=1S/C11H18F3NO3/c1-5-7(4)18-9(16)8(6(2)3)15-10(17)11(12,13)14/h6-8H,5H2,1-4H3,(H,15,17)
InChIKeyBXZLFWSHYCWSSH-UHFFFAOYSA-N
XLogP2.03
TPSA55.40 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500269.26
LogP ≤ 52.03
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze butan-2-yl 3-methyl-2-[(2,2,2-trifluoroacetyl)amino]butanoate with MolForge

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Related Compounds

butan-2-yl (2S,3S)-3-methyl-2-[(2,2,2-trifluoroacetyl)amino]pentanoate
CID 101287794
butan-2-yl 2-[(2,2,2-trifluoroacetyl)amino]-3-(2,2,2-trifluoroacetyl)oxybutanoate
CID 546510
butan-2-yl (2S,3R)-2-[(2,2,2-trifluoroacetyl)amino]-3-(2,2,2-trifluoroacetyl)oxybutanoate
CID 90473703
dibutan-2-yl 2-[(2,2,2-trifluoroacetyl)amino]pentanedioate
CID 545467
methyl (2S,3R)-3-hydroxy-2-[(2,2,2-trifluoroacetyl)amino]pentanoate
CID 58583629
propan-2-yl 3-methyl-2-(2,2,3,3,3-pentafluoropropanoylamino)butanoate
CID 612622
butan-2-yl 2-methyl-2-[(2,2,2-trifluoroacetyl)amino]propanoate
CID 592907
2-[(2S)-3-methyl-2-[(2,2,2-trifluoroacetyl)amino]butanoyl]oxypropane-1,2,3-tricarboxylic acid
CID 175332787
propan-2-yl 2-[(2,2,2-trifluoroacetyl)amino]-3-(2,2,2-trifluoroacetyl)oxybutanoate
CID 6430285
butan-2-yl 3-[(2,2,2-trifluoroacetyl)amino]propanoate
CID 544422
ethyl 2-[(2,2,2-trifluoroacetyl)amino]propanoate
CID 14778327
dibutan-2-yl 2,3-dimethylbutanedioate
CID 582100

Frequently Asked Questions

What is the IUPAC name of butan-2-yl 3-methyl-2-[(2,2,2-trifluoroacetyl)amino]butanoate?
The IUPAC name of butan-2-yl 3-methyl-2-[(2,2,2-trifluoroacetyl)amino]butanoate (CID 597709) is butan-2-yl 3-methyl-2-[(2,2,2-trifluoroacetyl)amino]butanoate.
What is the SMILES notation for butan-2-yl 3-methyl-2-[(2,2,2-trifluoroacetyl)amino]butanoate?
The canonical SMILES for butan-2-yl 3-methyl-2-[(2,2,2-trifluoroacetyl)amino]butanoate is CCC(C)OC(=O)C(NC(=O)C(F)(F)F)C(C)C.
What is the InChIKey of butan-2-yl 3-methyl-2-[(2,2,2-trifluoroacetyl)amino]butanoate?
The InChIKey is BXZLFWSHYCWSSH-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H18F3NO3/c1-5-7(4)18-9(16)8(6(2)3)15-10(17)11(12,13)14/h6-8H,5H2,1-4H3,(H,15,17).
What are the key properties of butan-2-yl 3-methyl-2-[(2,2,2-trifluoroacetyl)amino]butanoate?
butan-2-yl 3-methyl-2-[(2,2,2-trifluoroacetyl)amino]butanoate has a molecular weight of 269.26 g/mol, XLogP of 2.03, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for butan-2-yl 3-methyl-2-[(2,2,2-trifluoroacetyl)amino]butanoate is sourced from PubChem (CID 597709), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).