ethyl 4-[ethyl-(2-methoxy-2-oxoethyl)amino]-4-oxobutanoate

C11H19NO5 — CID 54979582

IUPACethyl 4-[ethyl-(2-methoxy-2-oxoethyl)amino]-4-oxobutanoate
SMILESCCOC(=O)CCC(=O)N(CC)CC(=O)OC
InChIInChI=1S/C11H19NO5/c1-4-12(8-11(15)16-3)9(13)6-7-10(14)17-5-2/h4-8H2,1-3H3
InChIKeyVAZWIDUXAINVNQ-UHFFFAOYSA-N
MW245.27 g/mol
LogP0.35
Rot. Bonds7

About ethyl 4-[ethyl-(2-methoxy-2-oxoethyl)amino]-4-oxobutanoate

ethyl 4-[ethyl-(2-methoxy-2-oxoethyl)amino]-4-oxobutanoate (PubChem CID 54979582) has the molecular formula C11H19NO5 and a molecular weight of 245.27 g/mol. Its IUPAC name is ethyl 4-[ethyl-(2-methoxy-2-oxoethyl)amino]-4-oxobutanoate.

Molecular Properties

Compound Nameethyl 4-[ethyl-(2-methoxy-2-oxoethyl)amino]-4-oxobutanoate
PubChem CID54979582
Molecular FormulaC11H19NO5
Molecular Weight245.27 g/mol
Exact Mass245.13
IUPAC Nameethyl 4-[ethyl-(2-methoxy-2-oxoethyl)amino]-4-oxobutanoate
SMILESCCOC(=O)CCC(=O)N(CC)CC(=O)OC
InChIInChI=1S/C11H19NO5/c1-4-12(8-11(15)16-3)9(13)6-7-10(14)17-5-2/h4-8H2,1-3H3
InChIKeyVAZWIDUXAINVNQ-UHFFFAOYSA-N
XLogP0.35
TPSA72.91 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500245.27
LogP ≤ 50.35
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

ethyl 4-[(2-methoxy-2-oxoethyl)-methylamino]-4-oxobutanoate
CID 43407383
4-O-ethyl 1-O-methyl butanedioate
CID 522068
ethyl 2-[ethyl(hexanoyl)amino]acetate
CID 61022826
methyl 2-[ethoxycarbonyl-(2-methoxy-2-oxoethyl)amino]acetate
CID 62953811
ethyl 2-[ethyl(5-hydroxypentanoyl)amino]acetate
CID 107860351
ethyl 2-[ethyl(4-methylpentanoyl)amino]acetate
CID 61012376
chloromethyl 4-(diethylamino)-4-oxobutanoate
CID 19735934
methyl 2-[[2-[acetyl(methyl)amino]acetyl]-ethylamino]acetate
CID 61383689
methyl 2-[ethyl-[2-(1,2,4-triazol-1-yl)acetyl]amino]acetate
CID 55148837
ethyl 2-[3-(2,5-dioxopyrrolidin-1-yl)propanoyl-ethylamino]acetate
CID 61021499
methyl 2-[ethyl-[2-[(2-methylpropan-2-yl)oxy]acetyl]amino]acetate
CID 112603588
ethyl 3-[ethyl-(2-methoxy-2-oxoethyl)sulfamoyl]propanoate
CID 54998323

Frequently Asked Questions

What is the IUPAC name of ethyl 4-[ethyl-(2-methoxy-2-oxoethyl)amino]-4-oxobutanoate?
The IUPAC name of ethyl 4-[ethyl-(2-methoxy-2-oxoethyl)amino]-4-oxobutanoate (CID 54979582) is ethyl 4-[ethyl-(2-methoxy-2-oxoethyl)amino]-4-oxobutanoate.
What is the SMILES notation for ethyl 4-[ethyl-(2-methoxy-2-oxoethyl)amino]-4-oxobutanoate?
The canonical SMILES for ethyl 4-[ethyl-(2-methoxy-2-oxoethyl)amino]-4-oxobutanoate is CCOC(=O)CCC(=O)N(CC)CC(=O)OC.
What is the InChIKey of ethyl 4-[ethyl-(2-methoxy-2-oxoethyl)amino]-4-oxobutanoate?
The InChIKey is VAZWIDUXAINVNQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H19NO5/c1-4-12(8-11(15)16-3)9(13)6-7-10(14)17-5-2/h4-8H2,1-3H3.
What are the key properties of ethyl 4-[ethyl-(2-methoxy-2-oxoethyl)amino]-4-oxobutanoate?
ethyl 4-[ethyl-(2-methoxy-2-oxoethyl)amino]-4-oxobutanoate has a molecular weight of 245.27 g/mol, XLogP of 0.35, 7 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 4-[ethyl-(2-methoxy-2-oxoethyl)amino]-4-oxobutanoate is sourced from PubChem (CID 54979582), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).