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

C11H22N2O3 — CID 55028574

IUPACmethyl 3-[[2-(tert-butylamino)-2-oxoethyl]-methylamino]propanoate
SMILESCOC(=O)CCN(C)CC(=O)NC(C)(C)C
InChIInChI=1S/C11H22N2O3/c1-11(2,3)12-9(14)8-13(4)7-6-10(15)16-5/h6-8H2,1-5H3,(H,12,14)
InChIKeyVPONBFGRROUZOU-UHFFFAOYSA-N
MW230.31 g/mol
LogP0.40
Rot. Bonds5

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

methyl 3-[[2-(tert-butylamino)-2-oxoethyl]-methylamino]propanoate (PubChem CID 55028574) has the molecular formula C11H22N2O3 and a molecular weight of 230.31 g/mol. Its IUPAC name is methyl 3-[[2-(tert-butylamino)-2-oxoethyl]-methylamino]propanoate.

Molecular Properties

Compound Namemethyl 3-[[2-(tert-butylamino)-2-oxoethyl]-methylamino]propanoate
PubChem CID55028574
Molecular FormulaC11H22N2O3
Molecular Weight230.31 g/mol
Exact Mass230.16
IUPAC Namemethyl 3-[[2-(tert-butylamino)-2-oxoethyl]-methylamino]propanoate
SMILESCOC(=O)CCN(C)CC(=O)NC(C)(C)C
InChIInChI=1S/C11H22N2O3/c1-11(2,3)12-9(14)8-13(4)7-6-10(15)16-5/h6-8H2,1-5H3,(H,12,14)
InChIKeyVPONBFGRROUZOU-UHFFFAOYSA-N
XLogP0.40
TPSA58.64 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500230.31
LogP ≤ 50.40
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]propanoate?
The IUPAC name of methyl 3-[[2-(tert-butylamino)-2-oxoethyl]-methylamino]propanoate (CID 55028574) is methyl 3-[[2-(tert-butylamino)-2-oxoethyl]-methylamino]propanoate.
What is the SMILES notation for methyl 3-[[2-(tert-butylamino)-2-oxoethyl]-methylamino]propanoate?
The canonical SMILES for methyl 3-[[2-(tert-butylamino)-2-oxoethyl]-methylamino]propanoate is COC(=O)CCN(C)CC(=O)NC(C)(C)C.
What is the InChIKey of methyl 3-[[2-(tert-butylamino)-2-oxoethyl]-methylamino]propanoate?
The InChIKey is VPONBFGRROUZOU-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H22N2O3/c1-11(2,3)12-9(14)8-13(4)7-6-10(15)16-5/h6-8H2,1-5H3,(H,12,14).
What are the key properties of methyl 3-[[2-(tert-butylamino)-2-oxoethyl]-methylamino]propanoate?
methyl 3-[[2-(tert-butylamino)-2-oxoethyl]-methylamino]propanoate has a molecular weight of 230.31 g/mol, XLogP of 0.40, 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]propanoate is sourced from PubChem (CID 55028574), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).