[1-(tert-butylamino)-3-methyl-1-oxobutan-2-yl] 2,2-dimethylpropanoate

C14H27NO3 — CID 171343675

IUPAC[1-(tert-butylamino)-3-methyl-1-oxobutan-2-yl] 2,2-dimethylpropanoate
SMILESCC(C)C(OC(=O)C(C)(C)C)C(=O)NC(C)(C)C
InChIInChI=1S/C14H27NO3/c1-9(2)10(11(16)15-14(6,7)8)18-12(17)13(3,4)5/h9-10H,1-8H3,(H,15,16)
InChIKeyVXDVNBBWYRKHRX-UHFFFAOYSA-N
MW257.37 g/mol
LogP2.52
Rot. Bonds3

About [1-(tert-butylamino)-3-methyl-1-oxobutan-2-yl] 2,2-dimethylpropanoate

[1-(tert-butylamino)-3-methyl-1-oxobutan-2-yl] 2,2-dimethylpropanoate (PubChem CID 171343675) has the molecular formula C14H27NO3 and a molecular weight of 257.37 g/mol. Its IUPAC name is [1-(tert-butylamino)-3-methyl-1-oxobutan-2-yl] 2,2-dimethylpropanoate.

Molecular Properties

Compound Name[1-(tert-butylamino)-3-methyl-1-oxobutan-2-yl] 2,2-dimethylpropanoate
PubChem CID171343675
Molecular FormulaC14H27NO3
Molecular Weight257.37 g/mol
Exact Mass257.20
IUPAC Name[1-(tert-butylamino)-3-methyl-1-oxobutan-2-yl] 2,2-dimethylpropanoate
SMILESCC(C)C(OC(=O)C(C)(C)C)C(=O)NC(C)(C)C
InChIInChI=1S/C14H27NO3/c1-9(2)10(11(16)15-14(6,7)8)18-12(17)13(3,4)5/h9-10H,1-8H3,(H,15,16)
InChIKeyVXDVNBBWYRKHRX-UHFFFAOYSA-N
XLogP2.52
TPSA55.40 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500257.37
LogP ≤ 52.52
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of [1-(tert-butylamino)-3-methyl-1-oxobutan-2-yl] 2,2-dimethylpropanoate?
The IUPAC name of [1-(tert-butylamino)-3-methyl-1-oxobutan-2-yl] 2,2-dimethylpropanoate (CID 171343675) is [1-(tert-butylamino)-3-methyl-1-oxobutan-2-yl] 2,2-dimethylpropanoate.
What is the SMILES notation for [1-(tert-butylamino)-3-methyl-1-oxobutan-2-yl] 2,2-dimethylpropanoate?
The canonical SMILES for [1-(tert-butylamino)-3-methyl-1-oxobutan-2-yl] 2,2-dimethylpropanoate is CC(C)C(OC(=O)C(C)(C)C)C(=O)NC(C)(C)C.
What is the InChIKey of [1-(tert-butylamino)-3-methyl-1-oxobutan-2-yl] 2,2-dimethylpropanoate?
The InChIKey is VXDVNBBWYRKHRX-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H27NO3/c1-9(2)10(11(16)15-14(6,7)8)18-12(17)13(3,4)5/h9-10H,1-8H3,(H,15,16).
What are the key properties of [1-(tert-butylamino)-3-methyl-1-oxobutan-2-yl] 2,2-dimethylpropanoate?
[1-(tert-butylamino)-3-methyl-1-oxobutan-2-yl] 2,2-dimethylpropanoate has a molecular weight of 257.37 g/mol, XLogP of 2.52, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [1-(tert-butylamino)-3-methyl-1-oxobutan-2-yl] 2,2-dimethylpropanoate is sourced from PubChem (CID 171343675), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).