methyl 2-[4-(aminomethyl)-5-methyl-1H-imidazol-2-yl]acetate

C8H13N3O2 — CID 115016426

IUPACmethyl 2-[4-(aminomethyl)-5-methyl-1H-imidazol-2-yl]acetate
SMILESCOC(=O)Cc1nc(CN)c(C)[nH]1
InChIInChI=1S/C8H13N3O2/c1-5-6(4-9)11-7(10-5)3-8(12)13-2/h3-4,9H2,1-2H3,(H,10,11)
InChIKeyDKCWTBLJLMCDQI-UHFFFAOYSA-N
MW183.21 g/mol
LogP-0.11
Rot. Bonds3

About methyl 2-[4-(aminomethyl)-5-methyl-1H-imidazol-2-yl]acetate

methyl 2-[4-(aminomethyl)-5-methyl-1H-imidazol-2-yl]acetate (PubChem CID 115016426) has the molecular formula C8H13N3O2 and a molecular weight of 183.21 g/mol. Its IUPAC name is methyl 2-[4-(aminomethyl)-5-methyl-1H-imidazol-2-yl]acetate.

Molecular Properties

Compound Namemethyl 2-[4-(aminomethyl)-5-methyl-1H-imidazol-2-yl]acetate
PubChem CID115016426
Molecular FormulaC8H13N3O2
Molecular Weight183.21 g/mol
Exact Mass183.10
IUPAC Namemethyl 2-[4-(aminomethyl)-5-methyl-1H-imidazol-2-yl]acetate
SMILESCOC(=O)Cc1nc(CN)c(C)[nH]1
InChIInChI=1S/C8H13N3O2/c1-5-6(4-9)11-7(10-5)3-8(12)13-2/h3-4,9H2,1-2H3,(H,10,11)
InChIKeyDKCWTBLJLMCDQI-UHFFFAOYSA-N
XLogP-0.11
TPSA81.00 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500183.21
LogP ≤ 5-0.11
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Analyze methyl 2-[4-(aminomethyl)-5-methyl-1H-imidazol-2-yl]acetate with MolForge

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

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of methyl 2-[4-(aminomethyl)-5-methyl-1H-imidazol-2-yl]acetate?
The IUPAC name of methyl 2-[4-(aminomethyl)-5-methyl-1H-imidazol-2-yl]acetate (CID 115016426) is methyl 2-[4-(aminomethyl)-5-methyl-1H-imidazol-2-yl]acetate.
What is the SMILES notation for methyl 2-[4-(aminomethyl)-5-methyl-1H-imidazol-2-yl]acetate?
The canonical SMILES for methyl 2-[4-(aminomethyl)-5-methyl-1H-imidazol-2-yl]acetate is COC(=O)Cc1nc(CN)c(C)[nH]1.
What is the InChIKey of methyl 2-[4-(aminomethyl)-5-methyl-1H-imidazol-2-yl]acetate?
The InChIKey is DKCWTBLJLMCDQI-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H13N3O2/c1-5-6(4-9)11-7(10-5)3-8(12)13-2/h3-4,9H2,1-2H3,(H,10,11).
What are the key properties of methyl 2-[4-(aminomethyl)-5-methyl-1H-imidazol-2-yl]acetate?
methyl 2-[4-(aminomethyl)-5-methyl-1H-imidazol-2-yl]acetate has a molecular weight of 183.21 g/mol, XLogP of -0.11, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 2-[4-(aminomethyl)-5-methyl-1H-imidazol-2-yl]acetate is sourced from PubChem (CID 115016426), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).