methyl 3-[[2-(azocan-1-yl)-2-oxoethyl]-methylamino]propanoate

C14H26N2O3 — CID 62011095

IUPACmethyl 3-[[2-(azocan-1-yl)-2-oxoethyl]-methylamino]propanoate
SMILESCOC(=O)CCN(C)CC(=O)N1CCCCCCC1
InChIInChI=1S/C14H26N2O3/c1-15(11-8-14(18)19-2)12-13(17)16-9-6-4-3-5-7-10-16/h3-12H2,1-2H3
InChIKeyUABMOLDOVXNOMB-UHFFFAOYSA-N
MW270.37 g/mol
LogP1.27
Rot. Bonds5

About methyl 3-[[2-(azocan-1-yl)-2-oxoethyl]-methylamino]propanoate

methyl 3-[[2-(azocan-1-yl)-2-oxoethyl]-methylamino]propanoate (PubChem CID 62011095) has the molecular formula C14H26N2O3 and a molecular weight of 270.37 g/mol. Its IUPAC name is methyl 3-[[2-(azocan-1-yl)-2-oxoethyl]-methylamino]propanoate.

Molecular Properties

Compound Namemethyl 3-[[2-(azocan-1-yl)-2-oxoethyl]-methylamino]propanoate
PubChem CID62011095
Molecular FormulaC14H26N2O3
Molecular Weight270.37 g/mol
Exact Mass270.19
IUPAC Namemethyl 3-[[2-(azocan-1-yl)-2-oxoethyl]-methylamino]propanoate
SMILESCOC(=O)CCN(C)CC(=O)N1CCCCCCC1
InChIInChI=1S/C14H26N2O3/c1-15(11-8-14(18)19-2)12-13(17)16-9-6-4-3-5-7-10-16/h3-12H2,1-2H3
InChIKeyUABMOLDOVXNOMB-UHFFFAOYSA-N
XLogP1.27
TPSA49.85 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500270.37
LogP ≤ 51.27
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

2-[methyl-(2-oxo-2-piperidin-1-ylethyl)amino]-1-piperidin-1-ylethanone
CID 58826563
methyl 2-[[2-(azepan-1-yl)-2-oxoethyl]-(2-methoxy-2-oxoethyl)amino]acetate
CID 62955381
methyl 3-[(2-methoxy-2-oxoethyl)-methylamino]propanoate
CID 60658617
3-[methyl-(2-oxo-2-pyrrolidin-1-ylethyl)amino]propanamide
CID 55028667
methyl 3-[methyl-[2-(2-methylpiperidin-1-yl)-2-oxoethyl]amino]propanoate
CID 62011671
methyl 3-[methyl(2-piperidin-1-ylethyl)amino]propanoate
CID 62010889
methyl 3-[methyl-[(2-oxo-2-pyrrolidin-1-ylethyl)sulfamoyl]amino]propanoate
CID 115669280
methyl 2-[(2-methoxy-2-oxoethyl)-[2-(4-methylpiperazin-1-yl)-2-oxoethyl]amino]acetate
CID 62953322
1-(azepan-1-yl)-2-[2-hydroxypropyl(methyl)amino]ethanone
CID 62332976
methyl 4-oxo-4-[(2-oxo-2-piperidin-1-ylethyl)amino]butanoate
CID 110712317
methyl 2-[methyl-[2-(3-methylpiperidin-1-yl)-2-oxoethyl]amino]acetate
CID 60698117
methyl 2-[azepane-1-carbonyl-(2-methoxy-2-oxoethyl)amino]acetate
CID 79152220

Frequently Asked Questions

What is the IUPAC name of methyl 3-[[2-(azocan-1-yl)-2-oxoethyl]-methylamino]propanoate?
The IUPAC name of methyl 3-[[2-(azocan-1-yl)-2-oxoethyl]-methylamino]propanoate (CID 62011095) is methyl 3-[[2-(azocan-1-yl)-2-oxoethyl]-methylamino]propanoate.
What is the SMILES notation for methyl 3-[[2-(azocan-1-yl)-2-oxoethyl]-methylamino]propanoate?
The canonical SMILES for methyl 3-[[2-(azocan-1-yl)-2-oxoethyl]-methylamino]propanoate is COC(=O)CCN(C)CC(=O)N1CCCCCCC1.
What is the InChIKey of methyl 3-[[2-(azocan-1-yl)-2-oxoethyl]-methylamino]propanoate?
The InChIKey is UABMOLDOVXNOMB-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H26N2O3/c1-15(11-8-14(18)19-2)12-13(17)16-9-6-4-3-5-7-10-16/h3-12H2,1-2H3.
What are the key properties of methyl 3-[[2-(azocan-1-yl)-2-oxoethyl]-methylamino]propanoate?
methyl 3-[[2-(azocan-1-yl)-2-oxoethyl]-methylamino]propanoate has a molecular weight of 270.37 g/mol, XLogP of 1.27, 5 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 3-[[2-(azocan-1-yl)-2-oxoethyl]-methylamino]propanoate is sourced from PubChem (CID 62011095), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).