methyl 2-[4-(2-aminopropan-2-yl)-5-methyl-1H-imidazol-2-yl]acetate

C10H17N3O2 — CID 115027388

IUPACmethyl 2-[4-(2-aminopropan-2-yl)-5-methyl-1H-imidazol-2-yl]acetate
SMILESCOC(=O)Cc1nc(C(C)(C)N)c(C)[nH]1
InChIInChI=1S/C10H17N3O2/c1-6-9(10(2,3)11)13-7(12-6)5-8(14)15-4/h5,11H2,1-4H3,(H,12,13)
InChIKeyJKYDSGNMQOTTBA-UHFFFAOYSA-N
MW211.26 g/mol
LogP0.63
Rot. Bonds3

About methyl 2-[4-(2-aminopropan-2-yl)-5-methyl-1H-imidazol-2-yl]acetate

methyl 2-[4-(2-aminopropan-2-yl)-5-methyl-1H-imidazol-2-yl]acetate (PubChem CID 115027388) has the molecular formula C10H17N3O2 and a molecular weight of 211.26 g/mol. Its IUPAC name is methyl 2-[4-(2-aminopropan-2-yl)-5-methyl-1H-imidazol-2-yl]acetate.

Molecular Properties

Compound Namemethyl 2-[4-(2-aminopropan-2-yl)-5-methyl-1H-imidazol-2-yl]acetate
PubChem CID115027388
Molecular FormulaC10H17N3O2
Molecular Weight211.26 g/mol
Exact Mass211.13
IUPAC Namemethyl 2-[4-(2-aminopropan-2-yl)-5-methyl-1H-imidazol-2-yl]acetate
SMILESCOC(=O)Cc1nc(C(C)(C)N)c(C)[nH]1
InChIInChI=1S/C10H17N3O2/c1-6-9(10(2,3)11)13-7(12-6)5-8(14)15-4/h5,11H2,1-4H3,(H,12,13)
InChIKeyJKYDSGNMQOTTBA-UHFFFAOYSA-N
XLogP0.63
TPSA81.00 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500211.26
LogP ≤ 50.63
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of methyl 2-[4-(2-aminopropan-2-yl)-5-methyl-1H-imidazol-2-yl]acetate?
The IUPAC name of methyl 2-[4-(2-aminopropan-2-yl)-5-methyl-1H-imidazol-2-yl]acetate (CID 115027388) is methyl 2-[4-(2-aminopropan-2-yl)-5-methyl-1H-imidazol-2-yl]acetate.
What is the SMILES notation for methyl 2-[4-(2-aminopropan-2-yl)-5-methyl-1H-imidazol-2-yl]acetate?
The canonical SMILES for methyl 2-[4-(2-aminopropan-2-yl)-5-methyl-1H-imidazol-2-yl]acetate is COC(=O)Cc1nc(C(C)(C)N)c(C)[nH]1.
What is the InChIKey of methyl 2-[4-(2-aminopropan-2-yl)-5-methyl-1H-imidazol-2-yl]acetate?
The InChIKey is JKYDSGNMQOTTBA-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H17N3O2/c1-6-9(10(2,3)11)13-7(12-6)5-8(14)15-4/h5,11H2,1-4H3,(H,12,13).
What are the key properties of methyl 2-[4-(2-aminopropan-2-yl)-5-methyl-1H-imidazol-2-yl]acetate?
methyl 2-[4-(2-aminopropan-2-yl)-5-methyl-1H-imidazol-2-yl]acetate has a molecular weight of 211.26 g/mol, XLogP of 0.63, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 2-[4-(2-aminopropan-2-yl)-5-methyl-1H-imidazol-2-yl]acetate is sourced from PubChem (CID 115027388), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).