methyl 3-[(1-methylimidazol-2-yl)methyl-(oxolan-2-ylmethyl)amino]propanoate

C14H23N3O3 — CID 56790957

IUPACmethyl 3-[(1-methylimidazol-2-yl)methyl-(oxolan-2-ylmethyl)amino]propanoate
SMILESCOC(=O)CCN(Cc1nccn1C)CC1CCCO1
InChIInChI=1S/C14H23N3O3/c1-16-8-6-15-13(16)11-17(7-5-14(18)19-2)10-12-4-3-9-20-12/h6,8,12H,3-5,7,9-11H2,1-2H3
InChIKeyWCRGDIYHGSGHAP-UHFFFAOYSA-N
MW281.36 g/mol
LogP0.96
Rot. Bonds7

About methyl 3-[(1-methylimidazol-2-yl)methyl-(oxolan-2-ylmethyl)amino]propanoate

methyl 3-[(1-methylimidazol-2-yl)methyl-(oxolan-2-ylmethyl)amino]propanoate (PubChem CID 56790957) has the molecular formula C14H23N3O3 and a molecular weight of 281.36 g/mol. Its IUPAC name is methyl 3-[(1-methylimidazol-2-yl)methyl-(oxolan-2-ylmethyl)amino]propanoate.

Molecular Properties

Compound Namemethyl 3-[(1-methylimidazol-2-yl)methyl-(oxolan-2-ylmethyl)amino]propanoate
PubChem CID56790957
Molecular FormulaC14H23N3O3
Molecular Weight281.36 g/mol
Exact Mass281.17
IUPAC Namemethyl 3-[(1-methylimidazol-2-yl)methyl-(oxolan-2-ylmethyl)amino]propanoate
SMILESCOC(=O)CCN(Cc1nccn1C)CC1CCCO1
InChIInChI=1S/C14H23N3O3/c1-16-8-6-15-13(16)11-17(7-5-14(18)19-2)10-12-4-3-9-20-12/h6,8,12H,3-5,7,9-11H2,1-2H3
InChIKeyWCRGDIYHGSGHAP-UHFFFAOYSA-N
XLogP0.96
TPSA56.59 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500281.36
LogP ≤ 50.96
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Analyze methyl 3-[(1-methylimidazol-2-yl)methyl-(oxolan-2-ylmethyl)amino]propanoate with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

[(3R,4S,5S,6S)-4,5-diacetyloxy-6-imidazol-1-yloxan-3-yl] acetate
CID 10544093
ethyl 3-(2-methyl-1H-imidazol-1-yl)propanoate
CID 2764366
Butyl 3-imidazol-1-ylpropanoate
CID 58526067
1-Ribosylimidazolylessigsaure
CID 129891183
Methyl 5-(2-(hydroxymethyl)-1H-imidazol-1-yl)pentanoate
CID 162640702
3-[[1-(Difluoromethyl)imidazol-2-yl]methyl-methylamino]-5-methyloxolan-2-one
CID 72114631
2-(1-Ethoxyethyl)-1-(oxolan-2-ylmethyl)imidazole
CID 86793090
Imidazole, 2-fluoro-1-triacetylribofuranosyl-
CID 536772
Imidazole, 5-fluoro-1-triacetylribofuranosyl-
CID 539637
Ethyl 2-(1-methylimidazol-2-yl)acetate
CID 14690513
Ethyl 5-imidazol-1-ylpentanoate
CID 12803309
1-Imidazol-1-ylpropan-2-yl acetate
CID 58743668

Frequently Asked Questions

What is the IUPAC name of methyl 3-[(1-methylimidazol-2-yl)methyl-(oxolan-2-ylmethyl)amino]propanoate?
The IUPAC name of methyl 3-[(1-methylimidazol-2-yl)methyl-(oxolan-2-ylmethyl)amino]propanoate (CID 56790957) is methyl 3-[(1-methylimidazol-2-yl)methyl-(oxolan-2-ylmethyl)amino]propanoate.
What is the SMILES notation for methyl 3-[(1-methylimidazol-2-yl)methyl-(oxolan-2-ylmethyl)amino]propanoate?
The canonical SMILES for methyl 3-[(1-methylimidazol-2-yl)methyl-(oxolan-2-ylmethyl)amino]propanoate is COC(=O)CCN(Cc1nccn1C)CC1CCCO1.
What is the InChIKey of methyl 3-[(1-methylimidazol-2-yl)methyl-(oxolan-2-ylmethyl)amino]propanoate?
The InChIKey is WCRGDIYHGSGHAP-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H23N3O3/c1-16-8-6-15-13(16)11-17(7-5-14(18)19-2)10-12-4-3-9-20-12/h6,8,12H,3-5,7,9-11H2,1-2H3.
What are the key properties of methyl 3-[(1-methylimidazol-2-yl)methyl-(oxolan-2-ylmethyl)amino]propanoate?
methyl 3-[(1-methylimidazol-2-yl)methyl-(oxolan-2-ylmethyl)amino]propanoate has a molecular weight of 281.36 g/mol, XLogP of 0.96, 7 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 3-[(1-methylimidazol-2-yl)methyl-(oxolan-2-ylmethyl)amino]propanoate is sourced from PubChem (CID 56790957), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).