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

C10H17N3O3 — CID 66402854

IUPACmethyl 2-[2-[(2-methoxyethylamino)methyl]imidazol-1-yl]acetate
SMILESCOCCNCc1nccn1CC(=O)OC
InChIInChI=1S/C10H17N3O3/c1-15-6-4-11-7-9-12-3-5-13(9)8-10(14)16-2/h3,5,11H,4,6-8H2,1-2H3
InChIKeyCGHGLZHTYVOVBI-UHFFFAOYSA-N
MW227.26 g/mol
LogP-0.21
Rot. Bonds7

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

methyl 2-[2-[(2-methoxyethylamino)methyl]imidazol-1-yl]acetate (PubChem CID 66402854) has the molecular formula C10H17N3O3 and a molecular weight of 227.26 g/mol. Its IUPAC name is methyl 2-[2-[(2-methoxyethylamino)methyl]imidazol-1-yl]acetate.

Molecular Properties

Compound Namemethyl 2-[2-[(2-methoxyethylamino)methyl]imidazol-1-yl]acetate
PubChem CID66402854
Molecular FormulaC10H17N3O3
Molecular Weight227.26 g/mol
Exact Mass227.13
IUPAC Namemethyl 2-[2-[(2-methoxyethylamino)methyl]imidazol-1-yl]acetate
SMILESCOCCNCc1nccn1CC(=O)OC
InChIInChI=1S/C10H17N3O3/c1-15-6-4-11-7-9-12-3-5-13(9)8-10(14)16-2/h3,5,11H,4,6-8H2,1-2H3
InChIKeyCGHGLZHTYVOVBI-UHFFFAOYSA-N
XLogP-0.21
TPSA65.38 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500227.26
LogP ≤ 5-0.21
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

methyl 2-[2-(ethylaminomethyl)imidazol-1-yl]acetate
CID 62221436
2-[2-[(2-methoxyethylamino)methyl]imidazol-1-yl]-N-(oxan-4-yl)acetamide
CID 66400704
2-methoxy-N-[[1-(2-phenylethyl)imidazol-2-yl]methyl]ethanamine
CID 66403057
2-methoxy-N-[[1-[(2-methyl-1,2,4-triazol-3-yl)methyl]imidazol-2-yl]methyl]ethanamine
CID 66401488
N-[[1-(3-ethoxypropyl)imidazol-2-yl]methyl]-2-methoxyethanamine
CID 66402286
2-methoxy-N-[[1-[(6-methyl-2-pyridinyl)methyl]imidazol-2-yl]methyl]ethanamine
CID 79261740
N-[[1-[(3,4-dimethylphenyl)methyl]imidazol-2-yl]methyl]-2-methoxyethanamine
CID 66402671
N-propyl-2-[2-(propylaminomethyl)imidazol-1-yl]acetamide
CID 55048710
2-methoxy-N-[[1-[[2-(2-methylpropyl)-1,2,4-triazol-3-yl]methyl]imidazol-2-yl]methyl]ethanamine
CID 66402475
N-[[1-(2,2-difluoro-2-phenylethyl)imidazol-2-yl]methyl]-2-methoxyethanamine
CID 116790158
N-[[1-[(5-ethyl-1,3,4-oxadiazol-2-yl)methyl]imidazol-2-yl]methyl]-2-methoxyethanamine
CID 66400904
methyl 2-[7-[(2-methoxyethylamino)methyl]indol-1-yl]acetate
CID 102915321

Frequently Asked Questions

What is the IUPAC name of methyl 2-[2-[(2-methoxyethylamino)methyl]imidazol-1-yl]acetate?
The IUPAC name of methyl 2-[2-[(2-methoxyethylamino)methyl]imidazol-1-yl]acetate (CID 66402854) is methyl 2-[2-[(2-methoxyethylamino)methyl]imidazol-1-yl]acetate.
What is the SMILES notation for methyl 2-[2-[(2-methoxyethylamino)methyl]imidazol-1-yl]acetate?
The canonical SMILES for methyl 2-[2-[(2-methoxyethylamino)methyl]imidazol-1-yl]acetate is COCCNCc1nccn1CC(=O)OC.
What is the InChIKey of methyl 2-[2-[(2-methoxyethylamino)methyl]imidazol-1-yl]acetate?
The InChIKey is CGHGLZHTYVOVBI-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H17N3O3/c1-15-6-4-11-7-9-12-3-5-13(9)8-10(14)16-2/h3,5,11H,4,6-8H2,1-2H3.
What are the key properties of methyl 2-[2-[(2-methoxyethylamino)methyl]imidazol-1-yl]acetate?
methyl 2-[2-[(2-methoxyethylamino)methyl]imidazol-1-yl]acetate has a molecular weight of 227.26 g/mol, XLogP of -0.21, 7 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 2-[2-[(2-methoxyethylamino)methyl]imidazol-1-yl]acetate is sourced from PubChem (CID 66402854), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).