methyl 2-[[4-(dimethylamino)-4-oxobutyl]-ethylamino]acetate

C11H22N2O3 — CID 62012741

IUPACmethyl 2-[[4-(dimethylamino)-4-oxobutyl]-ethylamino]acetate
SMILESCCN(CCCC(=O)N(C)C)CC(=O)OC
InChIInChI=1S/C11H22N2O3/c1-5-13(9-11(15)16-4)8-6-7-10(14)12(2)3/h5-9H2,1-4H3
InChIKeyXUEGUMLBIACNBI-UHFFFAOYSA-N
MW230.31 g/mol
LogP0.35
Rot. Bonds7

About methyl 2-[[4-(dimethylamino)-4-oxobutyl]-ethylamino]acetate

methyl 2-[[4-(dimethylamino)-4-oxobutyl]-ethylamino]acetate (PubChem CID 62012741) has the molecular formula C11H22N2O3 and a molecular weight of 230.31 g/mol. Its IUPAC name is methyl 2-[[4-(dimethylamino)-4-oxobutyl]-ethylamino]acetate.

Molecular Properties

Compound Namemethyl 2-[[4-(dimethylamino)-4-oxobutyl]-ethylamino]acetate
PubChem CID62012741
Molecular FormulaC11H22N2O3
Molecular Weight230.31 g/mol
Exact Mass230.16
IUPAC Namemethyl 2-[[4-(dimethylamino)-4-oxobutyl]-ethylamino]acetate
SMILESCCN(CCCC(=O)N(C)C)CC(=O)OC
InChIInChI=1S/C11H22N2O3/c1-5-13(9-11(15)16-4)8-6-7-10(14)12(2)3/h5-9H2,1-4H3
InChIKeyXUEGUMLBIACNBI-UHFFFAOYSA-N
XLogP0.35
TPSA49.85 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500230.31
LogP ≤ 50.35
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

methyl 2-[[4-(dimethylamino)-4-oxobutyl]-methylamino]acetate
CID 62026509
methyl 2-[bis[2-(diethylamino)ethyl]amino]acetate
CID 142240195
methyl 5-(dimethylamino)-5-oxopentanoate
CID 11615262
methyl 2-[ethyl(3-ethylsulfanylpropyl)amino]acetate
CID 115665504
methyl 2-[2-[2-aminoethyl-(2-methoxy-2-oxoethyl)amino]ethyl-ethylamino]acetate
CID 155041284
methyl 2-[2-[2-[bis(2-methoxy-2-oxoethyl)amino]ethyl-(2-methoxy-2-oxoethyl)amino]ethyl-butylamino]acetate
CID 58850907
methyl 4-[(2-ethoxy-2-oxoethyl)-propylamino]butanoate
CID 62027143
2-[3-aminopropyl(ethyl)amino]-N,N-dimethylacetamide
CID 43137216
2-[ethyl(2-methoxyethyl)amino]-N,N-dimethylacetamide
CID 135183389
6-[bis(2-methoxy-2-oxoethyl)amino]hexanoic acid
CID 86014416
4-[2-hydroxyethyl(propyl)amino]-N,N-dimethylbutanamide
CID 62015425
methyl 3-[ethyl-[2-[(2-methylpropan-2-yl)oxy]-2-oxoethyl]amino]propanoate
CID 62028503

Frequently Asked Questions

What is the IUPAC name of methyl 2-[[4-(dimethylamino)-4-oxobutyl]-ethylamino]acetate?
The IUPAC name of methyl 2-[[4-(dimethylamino)-4-oxobutyl]-ethylamino]acetate (CID 62012741) is methyl 2-[[4-(dimethylamino)-4-oxobutyl]-ethylamino]acetate.
What is the SMILES notation for methyl 2-[[4-(dimethylamino)-4-oxobutyl]-ethylamino]acetate?
The canonical SMILES for methyl 2-[[4-(dimethylamino)-4-oxobutyl]-ethylamino]acetate is CCN(CCCC(=O)N(C)C)CC(=O)OC.
What is the InChIKey of methyl 2-[[4-(dimethylamino)-4-oxobutyl]-ethylamino]acetate?
The InChIKey is XUEGUMLBIACNBI-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H22N2O3/c1-5-13(9-11(15)16-4)8-6-7-10(14)12(2)3/h5-9H2,1-4H3.
What are the key properties of methyl 2-[[4-(dimethylamino)-4-oxobutyl]-ethylamino]acetate?
methyl 2-[[4-(dimethylamino)-4-oxobutyl]-ethylamino]acetate has a molecular weight of 230.31 g/mol, XLogP of 0.35, 7 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 2-[[4-(dimethylamino)-4-oxobutyl]-ethylamino]acetate is sourced from PubChem (CID 62012741), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).