methyl 3-[(3-ethylimidazol-4-yl)methyl-(2-methoxyethyl)amino]propanoate

C13H23N3O3 — CID 115536390

IUPACmethyl 3-[(3-ethylimidazol-4-yl)methyl-(2-methoxyethyl)amino]propanoate
SMILESCCn1cncc1CN(CCOC)CCC(=O)OC
InChIInChI=1S/C13H23N3O3/c1-4-16-11-14-9-12(16)10-15(7-8-18-2)6-5-13(17)19-3/h9,11H,4-8,10H2,1-3H3
InChIKeyQDPBXSYIXALYLK-UHFFFAOYSA-N
MW269.34 g/mol
LogP0.91
Rot. Bonds9

About methyl 3-[(3-ethylimidazol-4-yl)methyl-(2-methoxyethyl)amino]propanoate

methyl 3-[(3-ethylimidazol-4-yl)methyl-(2-methoxyethyl)amino]propanoate (PubChem CID 115536390) has the molecular formula C13H23N3O3 and a molecular weight of 269.34 g/mol. Its IUPAC name is methyl 3-[(3-ethylimidazol-4-yl)methyl-(2-methoxyethyl)amino]propanoate.

Molecular Properties

Compound Namemethyl 3-[(3-ethylimidazol-4-yl)methyl-(2-methoxyethyl)amino]propanoate
PubChem CID115536390
Molecular FormulaC13H23N3O3
Molecular Weight269.34 g/mol
Exact Mass269.17
IUPAC Namemethyl 3-[(3-ethylimidazol-4-yl)methyl-(2-methoxyethyl)amino]propanoate
SMILESCCn1cncc1CN(CCOC)CCC(=O)OC
InChIInChI=1S/C13H23N3O3/c1-4-16-11-14-9-12(16)10-15(7-8-18-2)6-5-13(17)19-3/h9,11H,4-8,10H2,1-3H3
InChIKeyQDPBXSYIXALYLK-UHFFFAOYSA-N
XLogP0.91
TPSA56.59 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds9
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500269.34
LogP ≤ 50.91
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Analyze methyl 3-[(3-ethylimidazol-4-yl)methyl-(2-methoxyethyl)amino]propanoate with MolForge

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Related Compounds

ethyl 2-(4-methyl-1H-imidazol-1-yl)acetate
CID 237336
ethyl 2-(4-cyano-1H-imidazol-1-yl)acetate
CID 68753735
1-(methoxyacetyl)-4-[(1-methyl-1H-imidazol-5-yl)methyl]-1,4-diazepane
CID 77086886
N-[(1-isopropyl-1H-imidazol-5-yl)methyl]-N-methyl-2-morpholin-4-ylethanamine
CID 91776525
(2S)-N-[(3-ethylimidazol-4-yl)methyl]-N-methyl-2-morpholin-4-ylpropan-1-amine
CID 124753447
(2S)-N-[(1-ethylimidazol-4-yl)methyl]-3-methoxybutan-2-amine
CID 138020874
5-[[Bis(2-methoxyethyl)amino]methyl]-2-methylimidazole-1-sulfinyl fluoride
CID 53721601
4-[[Bis(2-methoxyethyl)amino]methyl]imidazole-1-sulfinyl fluoride
CID 53967851
5-[[Bis(2-methoxyethyl)amino]methyl]imidazole-1-sulfinyl fluoride
CID 53990728
4-[[Bis(2-methoxyethyl)amino]methyl]-2-methylimidazole-1-sulfinyl fluoride
CID 54343647
[4-(Trifluoromethyl)-1H-imidazol-1-yl]acetic acid ethyl ester
CID 59603647
Butyl 2-[4-(trifluoromethyl)imidazol-1-yl]acetate
CID 121265688

Frequently Asked Questions

What is the IUPAC name of methyl 3-[(3-ethylimidazol-4-yl)methyl-(2-methoxyethyl)amino]propanoate?
The IUPAC name of methyl 3-[(3-ethylimidazol-4-yl)methyl-(2-methoxyethyl)amino]propanoate (CID 115536390) is methyl 3-[(3-ethylimidazol-4-yl)methyl-(2-methoxyethyl)amino]propanoate.
What is the SMILES notation for methyl 3-[(3-ethylimidazol-4-yl)methyl-(2-methoxyethyl)amino]propanoate?
The canonical SMILES for methyl 3-[(3-ethylimidazol-4-yl)methyl-(2-methoxyethyl)amino]propanoate is CCn1cncc1CN(CCOC)CCC(=O)OC.
What is the InChIKey of methyl 3-[(3-ethylimidazol-4-yl)methyl-(2-methoxyethyl)amino]propanoate?
The InChIKey is QDPBXSYIXALYLK-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H23N3O3/c1-4-16-11-14-9-12(16)10-15(7-8-18-2)6-5-13(17)19-3/h9,11H,4-8,10H2,1-3H3.
What are the key properties of methyl 3-[(3-ethylimidazol-4-yl)methyl-(2-methoxyethyl)amino]propanoate?
methyl 3-[(3-ethylimidazol-4-yl)methyl-(2-methoxyethyl)amino]propanoate has a molecular weight of 269.34 g/mol, XLogP of 0.91, 9 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 3-[(3-ethylimidazol-4-yl)methyl-(2-methoxyethyl)amino]propanoate is sourced from PubChem (CID 115536390), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).