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

C9H15N3O2 — CID 102970303

IUPACmethyl 2-amino-2-(4-ethyl-5-methyl-1H-imidazol-2-yl)acetate
SMILESCCc1nc(C(N)C(=O)OC)[nH]c1C
InChIInChI=1S/C9H15N3O2/c1-4-6-5(2)11-8(12-6)7(10)9(13)14-3/h7H,4,10H2,1-3H3,(H,11,12)
InChIKeyLZIVRVCUJALJSC-UHFFFAOYSA-N
MW197.24 g/mol
LogP0.45
Rot. Bonds3

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

methyl 2-amino-2-(4-ethyl-5-methyl-1H-imidazol-2-yl)acetate (PubChem CID 102970303) has the molecular formula C9H15N3O2 and a molecular weight of 197.24 g/mol. Its IUPAC name is methyl 2-amino-2-(4-ethyl-5-methyl-1H-imidazol-2-yl)acetate.

Molecular Properties

Compound Namemethyl 2-amino-2-(4-ethyl-5-methyl-1H-imidazol-2-yl)acetate
PubChem CID102970303
Molecular FormulaC9H15N3O2
Molecular Weight197.24 g/mol
Exact Mass197.12
IUPAC Namemethyl 2-amino-2-(4-ethyl-5-methyl-1H-imidazol-2-yl)acetate
SMILESCCc1nc(C(N)C(=O)OC)[nH]c1C
InChIInChI=1S/C9H15N3O2/c1-4-6-5(2)11-8(12-6)7(10)9(13)14-3/h7H,4,10H2,1-3H3,(H,11,12)
InChIKeyLZIVRVCUJALJSC-UHFFFAOYSA-N
XLogP0.45
TPSA81.00 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500197.24
LogP ≤ 50.45
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-(4-ethyl-5-methyl-1H-imidazol-2-yl)acetate?
The IUPAC name of methyl 2-amino-2-(4-ethyl-5-methyl-1H-imidazol-2-yl)acetate (CID 102970303) is methyl 2-amino-2-(4-ethyl-5-methyl-1H-imidazol-2-yl)acetate.
What is the SMILES notation for methyl 2-amino-2-(4-ethyl-5-methyl-1H-imidazol-2-yl)acetate?
The canonical SMILES for methyl 2-amino-2-(4-ethyl-5-methyl-1H-imidazol-2-yl)acetate is CCc1nc(C(N)C(=O)OC)[nH]c1C.
What is the InChIKey of methyl 2-amino-2-(4-ethyl-5-methyl-1H-imidazol-2-yl)acetate?
The InChIKey is LZIVRVCUJALJSC-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H15N3O2/c1-4-6-5(2)11-8(12-6)7(10)9(13)14-3/h7H,4,10H2,1-3H3,(H,11,12).
What are the key properties of methyl 2-amino-2-(4-ethyl-5-methyl-1H-imidazol-2-yl)acetate?
methyl 2-amino-2-(4-ethyl-5-methyl-1H-imidazol-2-yl)acetate has a molecular weight of 197.24 g/mol, XLogP of 0.45, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 2-amino-2-(4-ethyl-5-methyl-1H-imidazol-2-yl)acetate is sourced from PubChem (CID 102970303), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).