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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Related Compounds

3-[3-imidazol-1-ylpropyl(pentyl)amino]propanoic acid
CID 82328294
N,N-didecyl-10-[[10-(didecylamino)-10-oxodecyl]-(3-imidazol-1-ylpropyl)amino]decanamide
CID 168943789
3-[3-imidazol-1-ylpropyl(methyl)amino]propanoic acid
CID 61492835
2-(2-butyloctoxycarbonyloxy)ethyl 3-[[3-[2-(2-butyloctoxycarbonyloxy)ethoxy]-3-oxopropyl]-(3-imidazol-1-ylpropyl)amino]propanoate
CID 176660853
ethane;3-pentyloctyl 8-[heptyl(3-imidazol-1-ylpropyl)amino]octanoate
CID 178033511
1-(2-methoxyethyl)imidazole
CID 14366840
methyl 3-[2-methoxyethyl(pent-4-ynyl)amino]propanoate
CID 112548452
6-[6-(4-ethyloctanoyloxy)hexyl-(3-imidazol-1-ylpropyl)amino]hexyl 4-ethyloctanoate
CID 165381343
3-[acetyl(3-imidazol-1-ylpropyl)amino]propanoic acid
CID 82323160
7-[3-imidazol-1-ylpropyl-(8-nonoxy-8-oxooctyl)amino]heptyl 2-octyldecanoate
CID 167712122
7-[(8-heptoxy-8-oxooctyl)-(3-imidazol-1-ylpropyl)amino]heptyl 2-octyldecanoate
CID 169079667
methyl 3-[2-methoxyethyl-[2-(4-methylpiperazin-1-yl)ethyl]amino]propanoate
CID 82892050

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).