methyl 3-[[3-[3-aminopropyl(methyl)amino]-3-oxopropyl]-methylamino]-2-methylpropanoate

C13H27N3O3 — CID 55183278

IUPACmethyl 3-[[3-[3-aminopropyl(methyl)amino]-3-oxopropyl]-methylamino]-2-methylpropanoate
SMILESCOC(=O)C(C)CN(C)CCC(=O)N(C)CCCN
InChIInChI=1S/C13H27N3O3/c1-11(13(18)19-4)10-15(2)9-6-12(17)16(3)8-5-7-14/h11H,5-10,14H2,1-4H3
InChIKeyFELXUCZTEBYIKU-UHFFFAOYSA-N
MW273.38 g/mol
LogP-0.08
Rot. Bonds9

About methyl 3-[[3-[3-aminopropyl(methyl)amino]-3-oxopropyl]-methylamino]-2-methylpropanoate

methyl 3-[[3-[3-aminopropyl(methyl)amino]-3-oxopropyl]-methylamino]-2-methylpropanoate (PubChem CID 55183278) has the molecular formula C13H27N3O3 and a molecular weight of 273.38 g/mol. Its IUPAC name is methyl 3-[[3-[3-aminopropyl(methyl)amino]-3-oxopropyl]-methylamino]-2-methylpropanoate.

Molecular Properties

Compound Namemethyl 3-[[3-[3-aminopropyl(methyl)amino]-3-oxopropyl]-methylamino]-2-methylpropanoate
PubChem CID55183278
Molecular FormulaC13H27N3O3
Molecular Weight273.38 g/mol
Exact Mass273.21
IUPAC Namemethyl 3-[[3-[3-aminopropyl(methyl)amino]-3-oxopropyl]-methylamino]-2-methylpropanoate
SMILESCOC(=O)C(C)CN(C)CCC(=O)N(C)CCCN
InChIInChI=1S/C13H27N3O3/c1-11(13(18)19-4)10-15(2)9-6-12(17)16(3)8-5-7-14/h11H,5-10,14H2,1-4H3
InChIKeyFELXUCZTEBYIKU-UHFFFAOYSA-N
XLogP-0.08
TPSA75.87 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds9
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500273.38
LogP ≤ 5-0.08
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of methyl 3-[[3-[3-aminopropyl(methyl)amino]-3-oxopropyl]-methylamino]-2-methylpropanoate?
The IUPAC name of methyl 3-[[3-[3-aminopropyl(methyl)amino]-3-oxopropyl]-methylamino]-2-methylpropanoate (CID 55183278) is methyl 3-[[3-[3-aminopropyl(methyl)amino]-3-oxopropyl]-methylamino]-2-methylpropanoate.
What is the SMILES notation for methyl 3-[[3-[3-aminopropyl(methyl)amino]-3-oxopropyl]-methylamino]-2-methylpropanoate?
The canonical SMILES for methyl 3-[[3-[3-aminopropyl(methyl)amino]-3-oxopropyl]-methylamino]-2-methylpropanoate is COC(=O)C(C)CN(C)CCC(=O)N(C)CCCN.
What is the InChIKey of methyl 3-[[3-[3-aminopropyl(methyl)amino]-3-oxopropyl]-methylamino]-2-methylpropanoate?
The InChIKey is FELXUCZTEBYIKU-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H27N3O3/c1-11(13(18)19-4)10-15(2)9-6-12(17)16(3)8-5-7-14/h11H,5-10,14H2,1-4H3.
What are the key properties of methyl 3-[[3-[3-aminopropyl(methyl)amino]-3-oxopropyl]-methylamino]-2-methylpropanoate?
methyl 3-[[3-[3-aminopropyl(methyl)amino]-3-oxopropyl]-methylamino]-2-methylpropanoate has a molecular weight of 273.38 g/mol, XLogP of -0.08, 9 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 3-[[3-[3-aminopropyl(methyl)amino]-3-oxopropyl]-methylamino]-2-methylpropanoate is sourced from PubChem (CID 55183278), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).