methyl 3-[[2-(tert-butylamino)-2-oxoethyl]-methylamino]-2-methylpropanoate

C12H24N2O3 — CID 60699773

IUPACmethyl 3-[[2-(tert-butylamino)-2-oxoethyl]-methylamino]-2-methylpropanoate
SMILESCOC(=O)C(C)CN(C)CC(=O)NC(C)(C)C
InChIInChI=1S/C12H24N2O3/c1-9(11(16)17-6)7-14(5)8-10(15)13-12(2,3)4/h9H,7-8H2,1-6H3,(H,13,15)
InChIKeyFJFXDSMFGSPZAA-UHFFFAOYSA-N
MW244.33 g/mol
LogP0.64
Rot. Bonds5

About methyl 3-[[2-(tert-butylamino)-2-oxoethyl]-methylamino]-2-methylpropanoate

methyl 3-[[2-(tert-butylamino)-2-oxoethyl]-methylamino]-2-methylpropanoate (PubChem CID 60699773) has the molecular formula C12H24N2O3 and a molecular weight of 244.33 g/mol. Its IUPAC name is methyl 3-[[2-(tert-butylamino)-2-oxoethyl]-methylamino]-2-methylpropanoate.

Molecular Properties

Compound Namemethyl 3-[[2-(tert-butylamino)-2-oxoethyl]-methylamino]-2-methylpropanoate
PubChem CID60699773
Molecular FormulaC12H24N2O3
Molecular Weight244.33 g/mol
Exact Mass244.18
IUPAC Namemethyl 3-[[2-(tert-butylamino)-2-oxoethyl]-methylamino]-2-methylpropanoate
SMILESCOC(=O)C(C)CN(C)CC(=O)NC(C)(C)C
InChIInChI=1S/C12H24N2O3/c1-9(11(16)17-6)7-14(5)8-10(15)13-12(2,3)4/h9H,7-8H2,1-6H3,(H,13,15)
InChIKeyFJFXDSMFGSPZAA-UHFFFAOYSA-N
XLogP0.64
TPSA58.64 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500244.33
LogP ≤ 50.64
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of methyl 3-[[2-(tert-butylamino)-2-oxoethyl]-methylamino]-2-methylpropanoate?
The IUPAC name of methyl 3-[[2-(tert-butylamino)-2-oxoethyl]-methylamino]-2-methylpropanoate (CID 60699773) is methyl 3-[[2-(tert-butylamino)-2-oxoethyl]-methylamino]-2-methylpropanoate.
What is the SMILES notation for methyl 3-[[2-(tert-butylamino)-2-oxoethyl]-methylamino]-2-methylpropanoate?
The canonical SMILES for methyl 3-[[2-(tert-butylamino)-2-oxoethyl]-methylamino]-2-methylpropanoate is COC(=O)C(C)CN(C)CC(=O)NC(C)(C)C.
What is the InChIKey of methyl 3-[[2-(tert-butylamino)-2-oxoethyl]-methylamino]-2-methylpropanoate?
The InChIKey is FJFXDSMFGSPZAA-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H24N2O3/c1-9(11(16)17-6)7-14(5)8-10(15)13-12(2,3)4/h9H,7-8H2,1-6H3,(H,13,15).
What are the key properties of methyl 3-[[2-(tert-butylamino)-2-oxoethyl]-methylamino]-2-methylpropanoate?
methyl 3-[[2-(tert-butylamino)-2-oxoethyl]-methylamino]-2-methylpropanoate has a molecular weight of 244.33 g/mol, XLogP of 0.64, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 3-[[2-(tert-butylamino)-2-oxoethyl]-methylamino]-2-methylpropanoate is sourced from PubChem (CID 60699773), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).