methyl 2-[[2-(tert-butylamino)-2-oxoethyl]-prop-2-enylamino]acetate

C12H22N2O3 — CID 134845044

IUPACmethyl 2-[[2-(tert-butylamino)-2-oxoethyl]-prop-2-enylamino]acetate
SMILESC=CCN(CC(=O)NC(C)(C)C)CC(=O)OC
InChIInChI=1S/C12H22N2O3/c1-6-7-14(9-11(16)17-5)8-10(15)13-12(2,3)4/h6H,1,7-9H2,2-5H3,(H,13,15)
InChIKeyHYSOXGQOIDFUIH-UHFFFAOYSA-N
MW242.32 g/mol
LogP0.56
Rot. Bonds6

About methyl 2-[[2-(tert-butylamino)-2-oxoethyl]-prop-2-enylamino]acetate

methyl 2-[[2-(tert-butylamino)-2-oxoethyl]-prop-2-enylamino]acetate (PubChem CID 134845044) has the molecular formula C12H22N2O3 and a molecular weight of 242.32 g/mol. Its IUPAC name is methyl 2-[[2-(tert-butylamino)-2-oxoethyl]-prop-2-enylamino]acetate.

Molecular Properties

Compound Namemethyl 2-[[2-(tert-butylamino)-2-oxoethyl]-prop-2-enylamino]acetate
PubChem CID134845044
Molecular FormulaC12H22N2O3
Molecular Weight242.32 g/mol
Exact Mass242.16
IUPAC Namemethyl 2-[[2-(tert-butylamino)-2-oxoethyl]-prop-2-enylamino]acetate
SMILESC=CCN(CC(=O)NC(C)(C)C)CC(=O)OC
InChIInChI=1S/C12H22N2O3/c1-6-7-14(9-11(16)17-5)8-10(15)13-12(2,3)4/h6H,1,7-9H2,2-5H3,(H,13,15)
InChIKeyHYSOXGQOIDFUIH-UHFFFAOYSA-N
XLogP0.56
TPSA58.64 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500242.32
LogP ≤ 50.56
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of methyl 2-[[2-(tert-butylamino)-2-oxoethyl]-prop-2-enylamino]acetate?
The IUPAC name of methyl 2-[[2-(tert-butylamino)-2-oxoethyl]-prop-2-enylamino]acetate (CID 134845044) is methyl 2-[[2-(tert-butylamino)-2-oxoethyl]-prop-2-enylamino]acetate.
What is the SMILES notation for methyl 2-[[2-(tert-butylamino)-2-oxoethyl]-prop-2-enylamino]acetate?
The canonical SMILES for methyl 2-[[2-(tert-butylamino)-2-oxoethyl]-prop-2-enylamino]acetate is C=CCN(CC(=O)NC(C)(C)C)CC(=O)OC.
What is the InChIKey of methyl 2-[[2-(tert-butylamino)-2-oxoethyl]-prop-2-enylamino]acetate?
The InChIKey is HYSOXGQOIDFUIH-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H22N2O3/c1-6-7-14(9-11(16)17-5)8-10(15)13-12(2,3)4/h6H,1,7-9H2,2-5H3,(H,13,15).
What are the key properties of methyl 2-[[2-(tert-butylamino)-2-oxoethyl]-prop-2-enylamino]acetate?
methyl 2-[[2-(tert-butylamino)-2-oxoethyl]-prop-2-enylamino]acetate has a molecular weight of 242.32 g/mol, XLogP of 0.56, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 2-[[2-(tert-butylamino)-2-oxoethyl]-prop-2-enylamino]acetate is sourced from PubChem (CID 134845044), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).