ethyl 2-[methyl-(1,2,2,5,5-pentamethylimidazol-4-yl)amino]acetate

C13H25N3O2 — CID 11514391

IUPACethyl 2-[methyl-(1,2,2,5,5-pentamethylimidazol-4-yl)amino]acetate
SMILESCCOC(=O)CN(C)C1=NC(C)(C)N(C)C1(C)C
InChIInChI=1S/C13H25N3O2/c1-8-18-10(17)9-15(6)11-12(2,3)16(7)13(4,5)14-11/h8-9H2,1-7H3
InChIKeyNHIXSRQEJZJBHA-UHFFFAOYSA-N
MW255.36 g/mol
LogP1.34
Rot. Bonds3

About ethyl 2-[methyl-(1,2,2,5,5-pentamethylimidazol-4-yl)amino]acetate

ethyl 2-[methyl-(1,2,2,5,5-pentamethylimidazol-4-yl)amino]acetate (PubChem CID 11514391) has the molecular formula C13H25N3O2 and a molecular weight of 255.36 g/mol. Its IUPAC name is ethyl 2-[methyl-(1,2,2,5,5-pentamethylimidazol-4-yl)amino]acetate.

Molecular Properties

Compound Nameethyl 2-[methyl-(1,2,2,5,5-pentamethylimidazol-4-yl)amino]acetate
PubChem CID11514391
Molecular FormulaC13H25N3O2
Molecular Weight255.36 g/mol
Exact Mass255.19
IUPAC Nameethyl 2-[methyl-(1,2,2,5,5-pentamethylimidazol-4-yl)amino]acetate
SMILESCCOC(=O)CN(C)C1=NC(C)(C)N(C)C1(C)C
InChIInChI=1S/C13H25N3O2/c1-8-18-10(17)9-15(6)11-12(2,3)16(7)13(4,5)14-11/h8-9H2,1-7H3
InChIKeyNHIXSRQEJZJBHA-UHFFFAOYSA-N
XLogP1.34
TPSA45.14 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500255.36
LogP ≤ 51.34
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

ethyl 2-[(2,4-dimethyl-3,5-dioxo-1,2,4-triazin-6-yl)-methylamino]acetate
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2-(N-(1,2,2,5,5-pentamethylimidazol-4-yl)anilino)acetic acid
CID 11508797
ethyl 2-(dimethylamino)acetate;hydrochloride
CID 86629091
ethane;ethyl 2-(dimethylamino)acetate
CID 170607054
ethyl 2-[2-(4,4-dimethyl-2,5-dioxoimidazolidin-1-yl)ethyl-methylamino]acetate
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ethyl 2-[bis[(1-methylimidazol-2-yl)methyl]amino]acetate
CID 11197077
ethyl 2-[(2,3-dimethyl-5-nitroimidazol-4-yl)-methylamino]acetate
CID 103860053
ethyl 2-[methyl-(4-methyl-1,3-thiazol-2-yl)amino]acetate
CID 62007331
ethyl 2-[(2-amino-1,3-thiazol-5-yl)-methylamino]acetate
CID 87186035
ethyl 2-[methyl-(4-methylpyrimidin-2-yl)amino]acetate
CID 62958932
ethyl 2-[(5-tert-butylpyrimidin-2-yl)-methylamino]acetate
CID 58333113
ethyl 2-(4-bromo-N-methylanilino)acetate
CID 102265686

Frequently Asked Questions

What is the IUPAC name of ethyl 2-[methyl-(1,2,2,5,5-pentamethylimidazol-4-yl)amino]acetate?
The IUPAC name of ethyl 2-[methyl-(1,2,2,5,5-pentamethylimidazol-4-yl)amino]acetate (CID 11514391) is ethyl 2-[methyl-(1,2,2,5,5-pentamethylimidazol-4-yl)amino]acetate.
What is the SMILES notation for ethyl 2-[methyl-(1,2,2,5,5-pentamethylimidazol-4-yl)amino]acetate?
The canonical SMILES for ethyl 2-[methyl-(1,2,2,5,5-pentamethylimidazol-4-yl)amino]acetate is CCOC(=O)CN(C)C1=NC(C)(C)N(C)C1(C)C.
What is the InChIKey of ethyl 2-[methyl-(1,2,2,5,5-pentamethylimidazol-4-yl)amino]acetate?
The InChIKey is NHIXSRQEJZJBHA-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H25N3O2/c1-8-18-10(17)9-15(6)11-12(2,3)16(7)13(4,5)14-11/h8-9H2,1-7H3.
What are the key properties of ethyl 2-[methyl-(1,2,2,5,5-pentamethylimidazol-4-yl)amino]acetate?
ethyl 2-[methyl-(1,2,2,5,5-pentamethylimidazol-4-yl)amino]acetate has a molecular weight of 255.36 g/mol, XLogP of 1.34, 3 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 2-[methyl-(1,2,2,5,5-pentamethylimidazol-4-yl)amino]acetate is sourced from PubChem (CID 11514391), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).