methyl 3-[methyl-[(3-methylimidazol-4-yl)methyl]amino]propanoate

C10H17N3O2 — CID 66141760

IUPACmethyl 3-[methyl-[(3-methylimidazol-4-yl)methyl]amino]propanoate
SMILESCOC(=O)CCN(C)Cc1cncn1C
InChIInChI=1S/C10H17N3O2/c1-12(5-4-10(14)15-3)7-9-6-11-8-13(9)2/h6,8H,4-5,7H2,1-3H3
InChIKeyWKIKBLIBAPWFLC-UHFFFAOYSA-N
MW211.26 g/mol
LogP0.41
Rot. Bonds5

About methyl 3-[methyl-[(3-methylimidazol-4-yl)methyl]amino]propanoate

methyl 3-[methyl-[(3-methylimidazol-4-yl)methyl]amino]propanoate (PubChem CID 66141760) has the molecular formula C10H17N3O2 and a molecular weight of 211.26 g/mol. Its IUPAC name is methyl 3-[methyl-[(3-methylimidazol-4-yl)methyl]amino]propanoate.

Molecular Properties

Compound Namemethyl 3-[methyl-[(3-methylimidazol-4-yl)methyl]amino]propanoate
PubChem CID66141760
Molecular FormulaC10H17N3O2
Molecular Weight211.26 g/mol
Exact Mass211.13
IUPAC Namemethyl 3-[methyl-[(3-methylimidazol-4-yl)methyl]amino]propanoate
SMILESCOC(=O)CCN(C)Cc1cncn1C
InChIInChI=1S/C10H17N3O2/c1-12(5-4-10(14)15-3)7-9-6-11-8-13(9)2/h6,8H,4-5,7H2,1-3H3
InChIKeyWKIKBLIBAPWFLC-UHFFFAOYSA-N
XLogP0.41
TPSA47.36 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500211.26
LogP ≤ 50.41
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

4-[methyl-[(3-methylimidazol-4-yl)methyl]amino]butanoic acid
CID 66117382
methyl 2-[cyclopentyl-[(3-methylimidazol-4-yl)methyl]amino]acetate
CID 80709036
1-[methyl-[(3-methylimidazol-4-yl)methyl]amino]propan-2-ol
CID 66141772
methyl 3-[methyl-[(1-methylimidazol-2-yl)methyl]amino]propanoate
CID 62011854
methyl 3-[(3-ethylimidazol-4-yl)methyl-(2-methoxyethyl)amino]propanoate
CID 115536390
methyl 3-[(5-chloro-1,3-dimethylpyrazol-4-yl)methyl-methylamino]propanoate
CID 62013204
methyl 3-[(3-ethylimidazol-4-yl)methyl-methylamino]-2-methylpropanoate
CID 66153384
methyl 2-(aminomethyl)-3-(3-methylimidazol-4-yl)propanoate
CID 66117010
N-ethyl-N-methyl-2-[(3-methylimidazol-4-yl)methylamino]acetamide
CID 104923403
N,N-dimethyl-2-[(3-methylimidazol-4-yl)methylamino]propanamide
CID 63002220
methyl 3-[(4-ethylphenyl)methyl-methylamino]propanoate
CID 60648146
methyl 3-[methyl-[(4-methylphenyl)methyl]amino]propanoate
CID 28830279

Frequently Asked Questions

What is the IUPAC name of methyl 3-[methyl-[(3-methylimidazol-4-yl)methyl]amino]propanoate?
The IUPAC name of methyl 3-[methyl-[(3-methylimidazol-4-yl)methyl]amino]propanoate (CID 66141760) is methyl 3-[methyl-[(3-methylimidazol-4-yl)methyl]amino]propanoate.
What is the SMILES notation for methyl 3-[methyl-[(3-methylimidazol-4-yl)methyl]amino]propanoate?
The canonical SMILES for methyl 3-[methyl-[(3-methylimidazol-4-yl)methyl]amino]propanoate is COC(=O)CCN(C)Cc1cncn1C.
What is the InChIKey of methyl 3-[methyl-[(3-methylimidazol-4-yl)methyl]amino]propanoate?
The InChIKey is WKIKBLIBAPWFLC-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H17N3O2/c1-12(5-4-10(14)15-3)7-9-6-11-8-13(9)2/h6,8H,4-5,7H2,1-3H3.
What are the key properties of methyl 3-[methyl-[(3-methylimidazol-4-yl)methyl]amino]propanoate?
methyl 3-[methyl-[(3-methylimidazol-4-yl)methyl]amino]propanoate has a molecular weight of 211.26 g/mol, XLogP of 0.41, 5 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 3-[methyl-[(3-methylimidazol-4-yl)methyl]amino]propanoate is sourced from PubChem (CID 66141760), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).