ethyl 2-[[2-(butan-2-ylamino)-2-oxoethyl]-methylamino]acetate

C11H22N2O3 — CID 55207313

IUPACethyl 2-[[2-(butan-2-ylamino)-2-oxoethyl]-methylamino]acetate
SMILESCCOC(=O)CN(C)CC(=O)NC(C)CC
InChIInChI=1S/C11H22N2O3/c1-5-9(3)12-10(14)7-13(4)8-11(15)16-6-2/h9H,5-8H2,1-4H3,(H,12,14)
InChIKeyKKXJDHLGWORVFJ-UHFFFAOYSA-N
MW230.31 g/mol
LogP0.40
Rot. Bonds7

About ethyl 2-[[2-(butan-2-ylamino)-2-oxoethyl]-methylamino]acetate

ethyl 2-[[2-(butan-2-ylamino)-2-oxoethyl]-methylamino]acetate (PubChem CID 55207313) has the molecular formula C11H22N2O3 and a molecular weight of 230.31 g/mol. Its IUPAC name is ethyl 2-[[2-(butan-2-ylamino)-2-oxoethyl]-methylamino]acetate.

Molecular Properties

Compound Nameethyl 2-[[2-(butan-2-ylamino)-2-oxoethyl]-methylamino]acetate
PubChem CID55207313
Molecular FormulaC11H22N2O3
Molecular Weight230.31 g/mol
Exact Mass230.16
IUPAC Nameethyl 2-[[2-(butan-2-ylamino)-2-oxoethyl]-methylamino]acetate
SMILESCCOC(=O)CN(C)CC(=O)NC(C)CC
InChIInChI=1S/C11H22N2O3/c1-5-9(3)12-10(14)7-13(4)8-11(15)16-6-2/h9H,5-8H2,1-4H3,(H,12,14)
InChIKeyKKXJDHLGWORVFJ-UHFFFAOYSA-N
XLogP0.40
TPSA58.64 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
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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Related Compounds

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CID 62013338
ethyl 2-[[2-(butan-2-ylamino)-2-oxoethyl]amino]acetate
CID 60811242
ethyl 2-[[2-[1-(furan-2-yl)ethylamino]-2-oxoethyl]-methylamino]acetate
CID 62013143
ethyl 2-[[2-(2-aminoethylamino)-2-oxoethyl]-methylamino]acetate
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N-butan-2-yl-2-[methyl-(2-oxo-2-piperazin-1-ylethyl)amino]acetamide
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methyl 3-[(2-ethoxy-2-oxoethyl)-methylamino]-2-methylpropanoate
CID 60966424
methyl 2-[methyl-[2-(6-methylheptan-2-ylamino)-2-oxoethyl]amino]acetate
CID 60670456
N-butan-2-yl-2-[1-hydroxypropan-2-yl(methyl)amino]acetamide
CID 115877326
ethyl 2-[[2-[ethyl(methyl)amino]-2-oxoethyl]-methylamino]acetate
CID 62012976
2-[[2-(butan-2-ylamino)-2-oxoethyl]-(carboxymethyl)amino]acetic acid
CID 63644616
ethyl 2-[[2-(3-ethylpent-1-yn-3-ylamino)-2-oxoethyl]-methylamino]acetate
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N-[(2S)-butan-2-yl]-3-methylbutanamide
CID 38989280

Frequently Asked Questions

What is the IUPAC name of ethyl 2-[[2-(butan-2-ylamino)-2-oxoethyl]-methylamino]acetate?
The IUPAC name of ethyl 2-[[2-(butan-2-ylamino)-2-oxoethyl]-methylamino]acetate (CID 55207313) is ethyl 2-[[2-(butan-2-ylamino)-2-oxoethyl]-methylamino]acetate.
What is the SMILES notation for ethyl 2-[[2-(butan-2-ylamino)-2-oxoethyl]-methylamino]acetate?
The canonical SMILES for ethyl 2-[[2-(butan-2-ylamino)-2-oxoethyl]-methylamino]acetate is CCOC(=O)CN(C)CC(=O)NC(C)CC.
What is the InChIKey of ethyl 2-[[2-(butan-2-ylamino)-2-oxoethyl]-methylamino]acetate?
The InChIKey is KKXJDHLGWORVFJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H22N2O3/c1-5-9(3)12-10(14)7-13(4)8-11(15)16-6-2/h9H,5-8H2,1-4H3,(H,12,14).
What are the key properties of ethyl 2-[[2-(butan-2-ylamino)-2-oxoethyl]-methylamino]acetate?
ethyl 2-[[2-(butan-2-ylamino)-2-oxoethyl]-methylamino]acetate has a molecular weight of 230.31 g/mol, XLogP of 0.40, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 2-[[2-(butan-2-ylamino)-2-oxoethyl]-methylamino]acetate is sourced from PubChem (CID 55207313), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).