ethyl 3-[[2-(tert-butylamino)-2-oxoethyl]amino]-2-methylpropanoate

C12H24N2O3 — CID 115356417

IUPACethyl 3-[[2-(tert-butylamino)-2-oxoethyl]amino]-2-methylpropanoate
SMILESCCOC(=O)C(C)CNCC(=O)NC(C)(C)C
InChIInChI=1S/C12H24N2O3/c1-6-17-11(16)9(2)7-13-8-10(15)14-12(3,4)5/h9,13H,6-8H2,1-5H3,(H,14,15)
InChIKeyAFDWXJBEUBDCIY-UHFFFAOYSA-N
MW244.33 g/mol
LogP0.69
Rot. Bonds6

About ethyl 3-[[2-(tert-butylamino)-2-oxoethyl]amino]-2-methylpropanoate

ethyl 3-[[2-(tert-butylamino)-2-oxoethyl]amino]-2-methylpropanoate (PubChem CID 115356417) has the molecular formula C12H24N2O3 and a molecular weight of 244.33 g/mol. Its IUPAC name is ethyl 3-[[2-(tert-butylamino)-2-oxoethyl]amino]-2-methylpropanoate.

Molecular Properties

Compound Nameethyl 3-[[2-(tert-butylamino)-2-oxoethyl]amino]-2-methylpropanoate
PubChem CID115356417
Molecular FormulaC12H24N2O3
Molecular Weight244.33 g/mol
Exact Mass244.18
IUPAC Nameethyl 3-[[2-(tert-butylamino)-2-oxoethyl]amino]-2-methylpropanoate
SMILESCCOC(=O)C(C)CNCC(=O)NC(C)(C)C
InChIInChI=1S/C12H24N2O3/c1-6-17-11(16)9(2)7-13-8-10(15)14-12(3,4)5/h9,13H,6-8H2,1-5H3,(H,14,15)
InChIKeyAFDWXJBEUBDCIY-UHFFFAOYSA-N
XLogP0.69
TPSA67.43 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500244.33
LogP ≤ 50.69
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

ethyl 2-methyl-3-[(2-methyl-2-methylsulfonylpropyl)amino]propanoate
CID 79551597
N-tert-butyl-2-(2-hydroxybutylamino)acetamide
CID 115356599
2-[[2-(aminomethyl)-3-methylbutyl]amino]-N-tert-butylacetamide
CID 107442563
ethyl 3-(2-aminoethylamino)-2-methylpropanoate
CID 20551192
2-amino-3-[[2-(tert-butylamino)-2-oxoethyl]amino]propanamide
CID 103260238
ethyl 3-(tert-butylcarbamoyloxy)-2-methylpropanoate
CID 174901087
ethyl 3-(ethoxyamino)-2-methylpropanoate
CID 64974924
propan-2-yl 2-[[2-(tert-butylamino)-2-oxoethyl]amino]acetate
CID 115356445
N-butan-2-yl-2-[[2-(tert-butylamino)-2-oxoethyl]amino]acetamide
CID 113219551
methyl 3-[[2-(ethylamino)-2-oxoethyl]amino]-2-methylpropanoate
CID 43566979
ethyl (2S)-3-acetamido-2-methylpropanoate
CID 15606037
tert-butyl N-[2-[[[2-(tert-butylamino)-2-oxoethyl]amino]methyl]-3-methylbutyl]carbamate
CID 107442562

Frequently Asked Questions

What is the IUPAC name of ethyl 3-[[2-(tert-butylamino)-2-oxoethyl]amino]-2-methylpropanoate?
The IUPAC name of ethyl 3-[[2-(tert-butylamino)-2-oxoethyl]amino]-2-methylpropanoate (CID 115356417) is ethyl 3-[[2-(tert-butylamino)-2-oxoethyl]amino]-2-methylpropanoate.
What is the SMILES notation for ethyl 3-[[2-(tert-butylamino)-2-oxoethyl]amino]-2-methylpropanoate?
The canonical SMILES for ethyl 3-[[2-(tert-butylamino)-2-oxoethyl]amino]-2-methylpropanoate is CCOC(=O)C(C)CNCC(=O)NC(C)(C)C.
What is the InChIKey of ethyl 3-[[2-(tert-butylamino)-2-oxoethyl]amino]-2-methylpropanoate?
The InChIKey is AFDWXJBEUBDCIY-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H24N2O3/c1-6-17-11(16)9(2)7-13-8-10(15)14-12(3,4)5/h9,13H,6-8H2,1-5H3,(H,14,15).
What are the key properties of ethyl 3-[[2-(tert-butylamino)-2-oxoethyl]amino]-2-methylpropanoate?
ethyl 3-[[2-(tert-butylamino)-2-oxoethyl]amino]-2-methylpropanoate has a molecular weight of 244.33 g/mol, XLogP of 0.69, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 3-[[2-(tert-butylamino)-2-oxoethyl]amino]-2-methylpropanoate is sourced from PubChem (CID 115356417), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).