propyl 2-[[2-[ethoxycarbonyl(methyl)amino]acetyl]-methylamino]acetate

C12H22N2O5 — CID 91709608

IUPACpropyl 2-[[2-[ethoxycarbonyl(methyl)amino]acetyl]-methylamino]acetate
SMILESCCCOC(=O)CN(C)C(=O)CN(C)C(=O)OCC
InChIInChI=1S/C12H22N2O5/c1-5-7-19-11(16)9-13(3)10(15)8-14(4)12(17)18-6-2/h5-9H2,1-4H3
InChIKeyIEIBHPLNYMAXEU-UHFFFAOYSA-N
MW274.32 g/mol
LogP0.49
Rot. Bonds7

About propyl 2-[[2-[ethoxycarbonyl(methyl)amino]acetyl]-methylamino]acetate

propyl 2-[[2-[ethoxycarbonyl(methyl)amino]acetyl]-methylamino]acetate (PubChem CID 91709608) has the molecular formula C12H22N2O5 and a molecular weight of 274.32 g/mol. Its IUPAC name is propyl 2-[[2-[ethoxycarbonyl(methyl)amino]acetyl]-methylamino]acetate.

Molecular Properties

Compound Namepropyl 2-[[2-[ethoxycarbonyl(methyl)amino]acetyl]-methylamino]acetate
PubChem CID91709608
Molecular FormulaC12H22N2O5
Molecular Weight274.32 g/mol
Exact Mass274.15
IUPAC Namepropyl 2-[[2-[ethoxycarbonyl(methyl)amino]acetyl]-methylamino]acetate
SMILESCCCOC(=O)CN(C)C(=O)CN(C)C(=O)OCC
InChIInChI=1S/C12H22N2O5/c1-5-7-19-11(16)9-13(3)10(15)8-14(4)12(17)18-6-2/h5-9H2,1-4H3
InChIKeyIEIBHPLNYMAXEU-UHFFFAOYSA-N
XLogP0.49
TPSA76.15 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500274.32
LogP ≤ 50.49
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

octyl 2-[ethoxycarbonyl(methyl)amino]acetate
CID 91709596
hexyl 2-[[2-[2-methoxyethoxycarbonyl(methyl)amino]acetyl]-methylamino]acetate
CID 91719271
heptyl 2-[[2-[2-methoxyethoxycarbonyl(methyl)amino]acetyl]-methylamino]acetate
CID 91719245
dodecyl 2-[[2-[methoxycarbonyl(methyl)amino]acetyl]-methylamino]acetate
CID 6421879
ethyl 2-[[2-[acetyl(methyl)amino]acetyl]-methylamino]acetate
CID 55207593
ethyl N-[2-(diethylamino)-2-oxoethyl]-N-methylcarbamate
CID 60652110
octadecyl 2-[methoxycarbonyl(methyl)amino]acetate
CID 91703023
pentadecyl 2-[hexanoyl(methyl)amino]acetate
CID 91692238
octadecyl 2-[methyl(tetradecanoyl)amino]acetate
CID 141251537
ethyl N-methyl-N-[2-(methylamino)-2-oxoethyl]carbamate
CID 60652010
propyl 2-[cyclopentanecarbonyl(methyl)amino]acetate
CID 91692141
ethyl 2-[carbonochloridoyl(methyl)amino]acetate
CID 134306024

Frequently Asked Questions

What is the IUPAC name of propyl 2-[[2-[ethoxycarbonyl(methyl)amino]acetyl]-methylamino]acetate?
The IUPAC name of propyl 2-[[2-[ethoxycarbonyl(methyl)amino]acetyl]-methylamino]acetate (CID 91709608) is propyl 2-[[2-[ethoxycarbonyl(methyl)amino]acetyl]-methylamino]acetate.
What is the SMILES notation for propyl 2-[[2-[ethoxycarbonyl(methyl)amino]acetyl]-methylamino]acetate?
The canonical SMILES for propyl 2-[[2-[ethoxycarbonyl(methyl)amino]acetyl]-methylamino]acetate is CCCOC(=O)CN(C)C(=O)CN(C)C(=O)OCC.
What is the InChIKey of propyl 2-[[2-[ethoxycarbonyl(methyl)amino]acetyl]-methylamino]acetate?
The InChIKey is IEIBHPLNYMAXEU-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H22N2O5/c1-5-7-19-11(16)9-13(3)10(15)8-14(4)12(17)18-6-2/h5-9H2,1-4H3.
What are the key properties of propyl 2-[[2-[ethoxycarbonyl(methyl)amino]acetyl]-methylamino]acetate?
propyl 2-[[2-[ethoxycarbonyl(methyl)amino]acetyl]-methylamino]acetate has a molecular weight of 274.32 g/mol, XLogP of 0.49, 7 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for propyl 2-[[2-[ethoxycarbonyl(methyl)amino]acetyl]-methylamino]acetate is sourced from PubChem (CID 91709608), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).