[3-(tert-butylamino)-2,2-dimethyl-3-oxopropyl] 2,2,2-trifluoroacetate

C11H18F3NO3 — CID 162398940

IUPAC[3-(tert-butylamino)-2,2-dimethyl-3-oxopropyl] 2,2,2-trifluoroacetate
SMILESCC(C)(C)NC(=O)C(C)(C)COC(=O)C(F)(F)F
InChIInChI=1S/C11H18F3NO3/c1-9(2,3)15-7(16)10(4,5)6-18-8(17)11(12,13)14/h6H2,1-5H3,(H,15,16)
InChIKeyCOOWCOZVDBTXFT-UHFFFAOYSA-N
MW269.26 g/mol
LogP2.03
Rot. Bonds3

About [3-(tert-butylamino)-2,2-dimethyl-3-oxopropyl] 2,2,2-trifluoroacetate

[3-(tert-butylamino)-2,2-dimethyl-3-oxopropyl] 2,2,2-trifluoroacetate (PubChem CID 162398940) has the molecular formula C11H18F3NO3 and a molecular weight of 269.26 g/mol. Its IUPAC name is [3-(tert-butylamino)-2,2-dimethyl-3-oxopropyl] 2,2,2-trifluoroacetate.

Molecular Properties

Compound Name[3-(tert-butylamino)-2,2-dimethyl-3-oxopropyl] 2,2,2-trifluoroacetate
PubChem CID162398940
Molecular FormulaC11H18F3NO3
Molecular Weight269.26 g/mol
Exact Mass269.12
IUPAC Name[3-(tert-butylamino)-2,2-dimethyl-3-oxopropyl] 2,2,2-trifluoroacetate
SMILESCC(C)(C)NC(=O)C(C)(C)COC(=O)C(F)(F)F
InChIInChI=1S/C11H18F3NO3/c1-9(2,3)15-7(16)10(4,5)6-18-8(17)11(12,13)14/h6H2,1-5H3,(H,15,16)
InChIKeyCOOWCOZVDBTXFT-UHFFFAOYSA-N
XLogP2.03
TPSA55.40 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
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 [3-(tert-butylamino)-2,2-dimethyl-3-oxopropyl] 2,2,2-trifluoroacetate with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

[3-(Butylamino)-2,2-dimethyl-3-oxopropyl] 2,2,2-trifluoroacetate
CID 102222871
Ethyl 3-(tert-butylamino)-3-oxopropanoate
CID 253275
Methyl 3-[(3-ethoxy-3-oxopropanoyl)amino]-4,4,4-trifluoro-3-methylbutanoate
CID 53872797
N-tert-butyl-3-(2,2-difluoroethoxy)propanamide
CID 103208957
Ethyl 2,2-difluoro-3-oxo-3-[[1-(trifluoromethyl)cyclopropyl]amino]propanoate
CID 112743148
[3-(Butylamino)-2,2-dimethyl-3-oxopropyl] 2,2-difluoroacetate
CID 125488539
3-(2,2,2-trifluoroethoxy)-N-(2,4,4-trimethylpentan-2-yl)propanamide
CID 133920971
Ethyl 2-[3-(2,2-difluoroethoxy)propanoylamino]-3,3,3-trifluoro-2-methylpropanoate
CID 136560826
N-tert-butyl-3-(2,2-dimethylpropoxy)propanamide
CID 135167679

Frequently Asked Questions

What is the IUPAC name of [3-(tert-butylamino)-2,2-dimethyl-3-oxopropyl] 2,2,2-trifluoroacetate?
The IUPAC name of [3-(tert-butylamino)-2,2-dimethyl-3-oxopropyl] 2,2,2-trifluoroacetate (CID 162398940) is [3-(tert-butylamino)-2,2-dimethyl-3-oxopropyl] 2,2,2-trifluoroacetate.
What is the SMILES notation for [3-(tert-butylamino)-2,2-dimethyl-3-oxopropyl] 2,2,2-trifluoroacetate?
The canonical SMILES for [3-(tert-butylamino)-2,2-dimethyl-3-oxopropyl] 2,2,2-trifluoroacetate is CC(C)(C)NC(=O)C(C)(C)COC(=O)C(F)(F)F.
What is the InChIKey of [3-(tert-butylamino)-2,2-dimethyl-3-oxopropyl] 2,2,2-trifluoroacetate?
The InChIKey is COOWCOZVDBTXFT-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H18F3NO3/c1-9(2,3)15-7(16)10(4,5)6-18-8(17)11(12,13)14/h6H2,1-5H3,(H,15,16).
What are the key properties of [3-(tert-butylamino)-2,2-dimethyl-3-oxopropyl] 2,2,2-trifluoroacetate?
[3-(tert-butylamino)-2,2-dimethyl-3-oxopropyl] 2,2,2-trifluoroacetate has a molecular weight of 269.26 g/mol, XLogP of 2.03, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [3-(tert-butylamino)-2,2-dimethyl-3-oxopropyl] 2,2,2-trifluoroacetate is sourced from PubChem (CID 162398940), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).