ethyl 2-[methyl-[2-oxo-2-(propan-2-ylcarbamoylamino)ethyl]amino]acetate

C11H21N3O4 — CID 62013338

IUPACethyl 2-[methyl-[2-oxo-2-(propan-2-ylcarbamoylamino)ethyl]amino]acetate
SMILESCCOC(=O)CN(C)CC(=O)NC(=O)NC(C)C
InChIInChI=1S/C11H21N3O4/c1-5-18-10(16)7-14(4)6-9(15)13-11(17)12-8(2)3/h8H,5-7H2,1-4H3,(H2,12,13,15,17)
InChIKeyKOEHJIQTYOLBMC-UHFFFAOYSA-N
MW259.31 g/mol
LogP-0.28
Rot. Bonds6

About ethyl 2-[methyl-[2-oxo-2-(propan-2-ylcarbamoylamino)ethyl]amino]acetate

ethyl 2-[methyl-[2-oxo-2-(propan-2-ylcarbamoylamino)ethyl]amino]acetate (PubChem CID 62013338) has the molecular formula C11H21N3O4 and a molecular weight of 259.31 g/mol. Its IUPAC name is ethyl 2-[methyl-[2-oxo-2-(propan-2-ylcarbamoylamino)ethyl]amino]acetate.

Molecular Properties

Compound Nameethyl 2-[methyl-[2-oxo-2-(propan-2-ylcarbamoylamino)ethyl]amino]acetate
PubChem CID62013338
Molecular FormulaC11H21N3O4
Molecular Weight259.31 g/mol
Exact Mass259.15
IUPAC Nameethyl 2-[methyl-[2-oxo-2-(propan-2-ylcarbamoylamino)ethyl]amino]acetate
SMILESCCOC(=O)CN(C)CC(=O)NC(=O)NC(C)C
InChIInChI=1S/C11H21N3O4/c1-5-18-10(16)7-14(4)6-9(15)13-11(17)12-8(2)3/h8H,5-7H2,1-4H3,(H2,12,13,15,17)
InChIKeyKOEHJIQTYOLBMC-UHFFFAOYSA-N
XLogP-0.28
TPSA87.74 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500259.31
LogP ≤ 5-0.28
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

ethyl 2-[[2-(butan-2-ylamino)-2-oxoethyl]-methylamino]acetate
CID 55207313
ethyl 2-[methyl-[2-oxo-2-(prop-2-enylcarbamoylamino)ethyl]amino]acetate
CID 62012374
2-[2-(2-hydroxyethoxy)ethyl-methylamino]-N-(propan-2-ylcarbamoyl)acetamide
CID 114243599
ethyl 2-[[2-(2-aminoethylamino)-2-oxoethyl]-methylamino]acetate
CID 63381111
ethyl 2-[[2-(furan-2-ylmethylcarbamoylamino)-2-oxoethyl]-methylamino]acetate
CID 62011616
ethyl 2-[[2-[1-(furan-2-yl)ethylamino]-2-oxoethyl]-methylamino]acetate
CID 62013143
methyl 3-[(2-ethoxy-2-oxoethyl)-methylamino]-2-methylpropanoate
CID 60966424
1-O-ethyl 4-O-[2-oxo-2-(propan-2-ylcarbamoylamino)ethyl] (E)-but-2-enedioate
CID 6054436
ethyl 2-[[2-[ethyl(methyl)amino]-2-oxoethyl]-methylamino]acetate
CID 62012976
ethyl 2-[2-chloroethyl(methyl)amino]acetate
CID 24846020
(2-ethoxy-2-oxoethyl)-methylcarbamothioic S-acid
CID 155530849
ethyl 2-[2-ethylsulfonylethyl(methyl)amino]acetate
CID 62010807

Frequently Asked Questions

What is the IUPAC name of ethyl 2-[methyl-[2-oxo-2-(propan-2-ylcarbamoylamino)ethyl]amino]acetate?
The IUPAC name of ethyl 2-[methyl-[2-oxo-2-(propan-2-ylcarbamoylamino)ethyl]amino]acetate (CID 62013338) is ethyl 2-[methyl-[2-oxo-2-(propan-2-ylcarbamoylamino)ethyl]amino]acetate.
What is the SMILES notation for ethyl 2-[methyl-[2-oxo-2-(propan-2-ylcarbamoylamino)ethyl]amino]acetate?
The canonical SMILES for ethyl 2-[methyl-[2-oxo-2-(propan-2-ylcarbamoylamino)ethyl]amino]acetate is CCOC(=O)CN(C)CC(=O)NC(=O)NC(C)C.
What is the InChIKey of ethyl 2-[methyl-[2-oxo-2-(propan-2-ylcarbamoylamino)ethyl]amino]acetate?
The InChIKey is KOEHJIQTYOLBMC-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H21N3O4/c1-5-18-10(16)7-14(4)6-9(15)13-11(17)12-8(2)3/h8H,5-7H2,1-4H3,(H2,12,13,15,17).
What are the key properties of ethyl 2-[methyl-[2-oxo-2-(propan-2-ylcarbamoylamino)ethyl]amino]acetate?
ethyl 2-[methyl-[2-oxo-2-(propan-2-ylcarbamoylamino)ethyl]amino]acetate has a molecular weight of 259.31 g/mol, XLogP of -0.28, 6 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 2-[methyl-[2-oxo-2-(propan-2-ylcarbamoylamino)ethyl]amino]acetate is sourced from PubChem (CID 62013338), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).