methyl 2-amino-2-(5-methyl-1H-imidazol-4-yl)acetate

C7H11N3O2 — CID 131497707

IUPACmethyl 2-amino-2-(5-methyl-1H-imidazol-4-yl)acetate
SMILESCOC(=O)C(N)c1nc[nH]c1C
InChIInChI=1S/C7H11N3O2/c1-4-6(10-3-9-4)5(8)7(11)12-2/h3,5H,8H2,1-2H3,(H,9,10)
InChIKeyAHFXVKYYKXDOPI-UHFFFAOYSA-N
MW169.18 g/mol
LogP-0.11
Rot. Bonds2

About methyl 2-amino-2-(5-methyl-1H-imidazol-4-yl)acetate

methyl 2-amino-2-(5-methyl-1H-imidazol-4-yl)acetate (PubChem CID 131497707) has the molecular formula C7H11N3O2 and a molecular weight of 169.18 g/mol. Its IUPAC name is methyl 2-amino-2-(5-methyl-1H-imidazol-4-yl)acetate.

Molecular Properties

Compound Namemethyl 2-amino-2-(5-methyl-1H-imidazol-4-yl)acetate
PubChem CID131497707
Molecular FormulaC7H11N3O2
Molecular Weight169.18 g/mol
Exact Mass169.09
IUPAC Namemethyl 2-amino-2-(5-methyl-1H-imidazol-4-yl)acetate
SMILESCOC(=O)C(N)c1nc[nH]c1C
InChIInChI=1S/C7H11N3O2/c1-4-6(10-3-9-4)5(8)7(11)12-2/h3,5H,8H2,1-2H3,(H,9,10)
InChIKeyAHFXVKYYKXDOPI-UHFFFAOYSA-N
XLogP-0.11
TPSA81.00 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500169.18
LogP ≤ 5-0.11
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of methyl 2-amino-2-(5-methyl-1H-imidazol-4-yl)acetate?
The IUPAC name of methyl 2-amino-2-(5-methyl-1H-imidazol-4-yl)acetate (CID 131497707) is methyl 2-amino-2-(5-methyl-1H-imidazol-4-yl)acetate.
What is the SMILES notation for methyl 2-amino-2-(5-methyl-1H-imidazol-4-yl)acetate?
The canonical SMILES for methyl 2-amino-2-(5-methyl-1H-imidazol-4-yl)acetate is COC(=O)C(N)c1nc[nH]c1C.
What is the InChIKey of methyl 2-amino-2-(5-methyl-1H-imidazol-4-yl)acetate?
The InChIKey is AHFXVKYYKXDOPI-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H11N3O2/c1-4-6(10-3-9-4)5(8)7(11)12-2/h3,5H,8H2,1-2H3,(H,9,10).
What are the key properties of methyl 2-amino-2-(5-methyl-1H-imidazol-4-yl)acetate?
methyl 2-amino-2-(5-methyl-1H-imidazol-4-yl)acetate has a molecular weight of 169.18 g/mol, XLogP of -0.11, 2 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 2-amino-2-(5-methyl-1H-imidazol-4-yl)acetate is sourced from PubChem (CID 131497707), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).