ethyl 2-[methyl-[4-(methylamino)-4-oxobutyl]amino]acetate

C10H20N2O3 — CID 63892113

IUPACethyl 2-[methyl-[4-(methylamino)-4-oxobutyl]amino]acetate
SMILESCCOC(=O)CN(C)CCCC(=O)NC
InChIInChI=1S/C10H20N2O3/c1-4-15-10(14)8-12(3)7-5-6-9(13)11-2/h4-8H2,1-3H3,(H,11,13)
InChIKeyMOUNVSVILBQVRA-UHFFFAOYSA-N
MW216.28 g/mol
LogP0.01
Rot. Bonds7

About ethyl 2-[methyl-[4-(methylamino)-4-oxobutyl]amino]acetate

ethyl 2-[methyl-[4-(methylamino)-4-oxobutyl]amino]acetate (PubChem CID 63892113) has the molecular formula C10H20N2O3 and a molecular weight of 216.28 g/mol. Its IUPAC name is ethyl 2-[methyl-[4-(methylamino)-4-oxobutyl]amino]acetate.

Molecular Properties

Compound Nameethyl 2-[methyl-[4-(methylamino)-4-oxobutyl]amino]acetate
PubChem CID63892113
Molecular FormulaC10H20N2O3
Molecular Weight216.28 g/mol
Exact Mass216.15
IUPAC Nameethyl 2-[methyl-[4-(methylamino)-4-oxobutyl]amino]acetate
SMILESCCOC(=O)CN(C)CCCC(=O)NC
InChIInChI=1S/C10H20N2O3/c1-4-15-10(14)8-12(3)7-5-6-9(13)11-2/h4-8H2,1-3H3,(H,11,13)
InChIKeyMOUNVSVILBQVRA-UHFFFAOYSA-N
XLogP0.01
TPSA58.64 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500216.28
LogP ≤ 50.01
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

ethyl 2-[(5-diazo-4-oxopentyl)-methylamino]acetate
CID 85295275
ethyl 2-[methyl(4,4,4-trifluorobutyl)amino]acetate
CID 115518030
ethyl 4-[methyl(propyl)amino]butanoate
CID 164991829
ethyl 2-[2-aminoethyl(methyl)amino]acetate;hydrochloride
CID 154726143
ethyl 2-[2-chloroethyl(methyl)amino]acetate
CID 24846020
ethyl 2-[2-ethylsulfonylethyl(methyl)amino]acetate
CID 62010807
ethyl 4-[methyl-[2-(methylamino)-2-oxoethyl]amino]-4-oxobutanoate
CID 60659458
ethyl 4-[[2-[(3-ethoxy-3-oxopropyl)-methylamino]acetyl]amino]butanoate
CID 62012622
2-[butyl(methyl)amino]-N-methylacetamide
CID 123914364
N-methyl-8-[methyl(propyl)amino]octanamide
CID 88909699
methyl 2-[[4-(dimethylamino)-4-oxobutyl]-methylamino]acetate
CID 62026509
ethyl 2-[[2-(2-aminoethylamino)-2-oxoethyl]-methylamino]acetate
CID 63381111

Frequently Asked Questions

What is the IUPAC name of ethyl 2-[methyl-[4-(methylamino)-4-oxobutyl]amino]acetate?
The IUPAC name of ethyl 2-[methyl-[4-(methylamino)-4-oxobutyl]amino]acetate (CID 63892113) is ethyl 2-[methyl-[4-(methylamino)-4-oxobutyl]amino]acetate.
What is the SMILES notation for ethyl 2-[methyl-[4-(methylamino)-4-oxobutyl]amino]acetate?
The canonical SMILES for ethyl 2-[methyl-[4-(methylamino)-4-oxobutyl]amino]acetate is CCOC(=O)CN(C)CCCC(=O)NC.
What is the InChIKey of ethyl 2-[methyl-[4-(methylamino)-4-oxobutyl]amino]acetate?
The InChIKey is MOUNVSVILBQVRA-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H20N2O3/c1-4-15-10(14)8-12(3)7-5-6-9(13)11-2/h4-8H2,1-3H3,(H,11,13).
What are the key properties of ethyl 2-[methyl-[4-(methylamino)-4-oxobutyl]amino]acetate?
ethyl 2-[methyl-[4-(methylamino)-4-oxobutyl]amino]acetate has a molecular weight of 216.28 g/mol, XLogP of 0.01, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 2-[methyl-[4-(methylamino)-4-oxobutyl]amino]acetate is sourced from PubChem (CID 63892113), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).