methyl 2-[2-(ethylaminomethyl)imidazol-1-yl]acetate

C9H15N3O2 — CID 62221436

IUPACmethyl 2-[2-(ethylaminomethyl)imidazol-1-yl]acetate
SMILESCCNCc1nccn1CC(=O)OC
InChIInChI=1S/C9H15N3O2/c1-3-10-6-8-11-4-5-12(8)7-9(13)14-2/h4-5,10H,3,6-7H2,1-2H3
InChIKeyKIKRKZAJPRNNIU-UHFFFAOYSA-N
MW197.24 g/mol
LogP0.17
Rot. Bonds5

About methyl 2-[2-(ethylaminomethyl)imidazol-1-yl]acetate

methyl 2-[2-(ethylaminomethyl)imidazol-1-yl]acetate (PubChem CID 62221436) has the molecular formula C9H15N3O2 and a molecular weight of 197.24 g/mol. Its IUPAC name is methyl 2-[2-(ethylaminomethyl)imidazol-1-yl]acetate.

Molecular Properties

Compound Namemethyl 2-[2-(ethylaminomethyl)imidazol-1-yl]acetate
PubChem CID62221436
Molecular FormulaC9H15N3O2
Molecular Weight197.24 g/mol
Exact Mass197.12
IUPAC Namemethyl 2-[2-(ethylaminomethyl)imidazol-1-yl]acetate
SMILESCCNCc1nccn1CC(=O)OC
InChIInChI=1S/C9H15N3O2/c1-3-10-6-8-11-4-5-12(8)7-9(13)14-2/h4-5,10H,3,6-7H2,1-2H3
InChIKeyKIKRKZAJPRNNIU-UHFFFAOYSA-N
XLogP0.17
TPSA56.15 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500197.24
LogP ≤ 50.17
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

methyl 2-[2-[(2-methoxyethylamino)methyl]imidazol-1-yl]acetate
CID 66402854
methyl 2-[2-(2-phenylethyl)imidazol-1-yl]acetate
CID 82561044
methyl 4-[[2-(ethylaminomethyl)imidazol-1-yl]methyl]benzoate
CID 62223550
N-benzyl-2-[2-(ethylaminomethyl)imidazol-1-yl]acetamide
CID 62223549
methyl 2-[2-(trifluoromethyl)imidazol-1-yl]acetate
CID 82561148
methyl 2-[2-[(3,5-dichlorophenyl)methyl]imidazol-1-yl]acetate
CID 82561099
2-[2-(ethylaminomethyl)imidazol-1-yl]-N-(4-fluorophenyl)acetamide
CID 62223733
N-(4-bromophenyl)-2-[2-(ethylaminomethyl)imidazol-1-yl]acetamide
CID 62223377
N-propyl-2-[2-(propylaminomethyl)imidazol-1-yl]acetamide
CID 55048710
3-[2-(ethylaminomethyl)imidazol-1-yl]-2-methylpropanamide
CID 62223381
methyl 2-[2-[(3-aminophenyl)methyl]imidazol-1-yl]acetate
CID 82558676
N-[[1-(2-propoxyethyl)imidazol-2-yl]methyl]ethanamine
CID 106455233

Frequently Asked Questions

What is the IUPAC name of methyl 2-[2-(ethylaminomethyl)imidazol-1-yl]acetate?
The IUPAC name of methyl 2-[2-(ethylaminomethyl)imidazol-1-yl]acetate (CID 62221436) is methyl 2-[2-(ethylaminomethyl)imidazol-1-yl]acetate.
What is the SMILES notation for methyl 2-[2-(ethylaminomethyl)imidazol-1-yl]acetate?
The canonical SMILES for methyl 2-[2-(ethylaminomethyl)imidazol-1-yl]acetate is CCNCc1nccn1CC(=O)OC.
What is the InChIKey of methyl 2-[2-(ethylaminomethyl)imidazol-1-yl]acetate?
The InChIKey is KIKRKZAJPRNNIU-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H15N3O2/c1-3-10-6-8-11-4-5-12(8)7-9(13)14-2/h4-5,10H,3,6-7H2,1-2H3.
What are the key properties of methyl 2-[2-(ethylaminomethyl)imidazol-1-yl]acetate?
methyl 2-[2-(ethylaminomethyl)imidazol-1-yl]acetate has a molecular weight of 197.24 g/mol, XLogP of 0.17, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 2-[2-(ethylaminomethyl)imidazol-1-yl]acetate is sourced from PubChem (CID 62221436), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).