methyl 3-[3-imidazol-1-ylpropyl(2-methoxyethyl)amino]propanoate

C13H23N3O3 — CID 113330780

IUPACmethyl 3-[3-imidazol-1-ylpropyl(2-methoxyethyl)amino]propanoate
SMILESCOCCN(CCCn1ccnc1)CCC(=O)OC
InChIInChI=1S/C13H23N3O3/c1-18-11-10-15(8-4-13(17)19-2)6-3-7-16-9-5-14-12-16/h5,9,12H,3-4,6-8,10-11H2,1-2H3
InChIKeyUFWFVFCPIZVIMD-UHFFFAOYSA-N
MW269.34 g/mol
LogP0.78
Rot. Bonds10

About methyl 3-[3-imidazol-1-ylpropyl(2-methoxyethyl)amino]propanoate

methyl 3-[3-imidazol-1-ylpropyl(2-methoxyethyl)amino]propanoate (PubChem CID 113330780) has the molecular formula C13H23N3O3 and a molecular weight of 269.34 g/mol. Its IUPAC name is methyl 3-[3-imidazol-1-ylpropyl(2-methoxyethyl)amino]propanoate.

Molecular Properties

Compound Namemethyl 3-[3-imidazol-1-ylpropyl(2-methoxyethyl)amino]propanoate
PubChem CID113330780
Molecular FormulaC13H23N3O3
Molecular Weight269.34 g/mol
Exact Mass269.17
IUPAC Namemethyl 3-[3-imidazol-1-ylpropyl(2-methoxyethyl)amino]propanoate
SMILESCOCCN(CCCn1ccnc1)CCC(=O)OC
InChIInChI=1S/C13H23N3O3/c1-18-11-10-15(8-4-13(17)19-2)6-3-7-16-9-5-14-12-16/h5,9,12H,3-4,6-8,10-11H2,1-2H3
InChIKeyUFWFVFCPIZVIMD-UHFFFAOYSA-N
XLogP0.78
TPSA56.59 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds10
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500269.34
LogP ≤ 50.78
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of methyl 3-[3-imidazol-1-ylpropyl(2-methoxyethyl)amino]propanoate?
The IUPAC name of methyl 3-[3-imidazol-1-ylpropyl(2-methoxyethyl)amino]propanoate (CID 113330780) is methyl 3-[3-imidazol-1-ylpropyl(2-methoxyethyl)amino]propanoate.
What is the SMILES notation for methyl 3-[3-imidazol-1-ylpropyl(2-methoxyethyl)amino]propanoate?
The canonical SMILES for methyl 3-[3-imidazol-1-ylpropyl(2-methoxyethyl)amino]propanoate is COCCN(CCCn1ccnc1)CCC(=O)OC.
What is the InChIKey of methyl 3-[3-imidazol-1-ylpropyl(2-methoxyethyl)amino]propanoate?
The InChIKey is UFWFVFCPIZVIMD-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H23N3O3/c1-18-11-10-15(8-4-13(17)19-2)6-3-7-16-9-5-14-12-16/h5,9,12H,3-4,6-8,10-11H2,1-2H3.
What are the key properties of methyl 3-[3-imidazol-1-ylpropyl(2-methoxyethyl)amino]propanoate?
methyl 3-[3-imidazol-1-ylpropyl(2-methoxyethyl)amino]propanoate has a molecular weight of 269.34 g/mol, XLogP of 0.78, 10 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 3-[3-imidazol-1-ylpropyl(2-methoxyethyl)amino]propanoate is sourced from PubChem (CID 113330780), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).