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

C10H17NO5 — CID 43407383

IUPACethyl 4-[(2-methoxy-2-oxoethyl)-methylamino]-4-oxobutanoate
SMILESCCOC(=O)CCC(=O)N(C)CC(=O)OC
InChIInChI=1S/C10H17NO5/c1-4-16-9(13)6-5-8(12)11(2)7-10(14)15-3/h4-7H2,1-3H3
InChIKeyHIGASLFEMQSQJS-UHFFFAOYSA-N
MW231.25 g/mol
LogP-0.04
Rot. Bonds6

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

ethyl 4-[(2-methoxy-2-oxoethyl)-methylamino]-4-oxobutanoate (PubChem CID 43407383) has the molecular formula C10H17NO5 and a molecular weight of 231.25 g/mol. Its IUPAC name is ethyl 4-[(2-methoxy-2-oxoethyl)-methylamino]-4-oxobutanoate.

Molecular Properties

Compound Nameethyl 4-[(2-methoxy-2-oxoethyl)-methylamino]-4-oxobutanoate
PubChem CID43407383
Molecular FormulaC10H17NO5
Molecular Weight231.25 g/mol
Exact Mass231.11
IUPAC Nameethyl 4-[(2-methoxy-2-oxoethyl)-methylamino]-4-oxobutanoate
SMILESCCOC(=O)CCC(=O)N(C)CC(=O)OC
InChIInChI=1S/C10H17NO5/c1-4-16-9(13)6-5-8(12)11(2)7-10(14)15-3/h4-7H2,1-3H3
InChIKeyHIGASLFEMQSQJS-UHFFFAOYSA-N
XLogP-0.04
TPSA72.91 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500231.25
LogP ≤ 5-0.04
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

ethyl 4-[methyl-[2-(methylamino)-2-oxoethyl]amino]-4-oxobutanoate
CID 60659458
ethyl 4-[ethyl-(2-methoxy-2-oxoethyl)amino]-4-oxobutanoate
CID 54979582
4-O-ethyl 1-O-methyl butanedioate
CID 522068
methyl 2-[3-aminopropanoyl(methyl)amino]acetate;hydrochloride
CID 155943272
methyl 2-[methyl(propanoyl)amino]acetate
CID 43407357
methyl 2-[3-acetamidopropanoyl(methyl)amino]acetate
CID 43407517
ethyl 4-[cyclobutylmethyl(methyl)amino]-4-oxobutanoate
CID 63939436
(E)-5-[(2-ethoxy-2-oxoethyl)-methylamino]-2-hydroxy-5-oxopent-1-ene-1-diazonium
CID 10610123
ethyl 5-[ethyl(methyl)amino]-4-oxopentanoate
CID 103484137
ethyl 2-[[2-[acetyl(methyl)amino]acetyl]-methylamino]acetate
CID 55207593
methyl 2-[3-cyclohexylpropanoyl(methyl)amino]acetate
CID 43407455
ethyl 2-[(2-acetamidoacetyl)-methylamino]acetate
CID 55207467

Frequently Asked Questions

What is the IUPAC name of ethyl 4-[(2-methoxy-2-oxoethyl)-methylamino]-4-oxobutanoate?
The IUPAC name of ethyl 4-[(2-methoxy-2-oxoethyl)-methylamino]-4-oxobutanoate (CID 43407383) is ethyl 4-[(2-methoxy-2-oxoethyl)-methylamino]-4-oxobutanoate.
What is the SMILES notation for ethyl 4-[(2-methoxy-2-oxoethyl)-methylamino]-4-oxobutanoate?
The canonical SMILES for ethyl 4-[(2-methoxy-2-oxoethyl)-methylamino]-4-oxobutanoate is CCOC(=O)CCC(=O)N(C)CC(=O)OC.
What is the InChIKey of ethyl 4-[(2-methoxy-2-oxoethyl)-methylamino]-4-oxobutanoate?
The InChIKey is HIGASLFEMQSQJS-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H17NO5/c1-4-16-9(13)6-5-8(12)11(2)7-10(14)15-3/h4-7H2,1-3H3.
What are the key properties of ethyl 4-[(2-methoxy-2-oxoethyl)-methylamino]-4-oxobutanoate?
ethyl 4-[(2-methoxy-2-oxoethyl)-methylamino]-4-oxobutanoate has a molecular weight of 231.25 g/mol, XLogP of -0.04, 6 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 4-[(2-methoxy-2-oxoethyl)-methylamino]-4-oxobutanoate is sourced from PubChem (CID 43407383), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).