methyl 2-[2-(1-cyclopentyl-5-methylimidazol-2-yl)ethylcarbamoylamino]acetate

C15H24N4O3 — CID 91923865

IUPACmethyl 2-[2-(1-cyclopentyl-5-methylimidazol-2-yl)ethylcarbamoylamino]acetate
SMILESCOC(=O)CNC(=O)NCCc1ncc(C)n1C1CCCC1
InChIInChI=1S/C15H24N4O3/c1-11-9-17-13(19(11)12-5-3-4-6-12)7-8-16-15(21)18-10-14(20)22-2/h9,12H,3-8,10H2,1-2H3,(H2,16,18,21)
InChIKeyJQOXYAMHQQUREG-UHFFFAOYSA-N
MW308.38 g/mol
LogP1.32
Rot. Bonds6

About methyl 2-[2-(1-cyclopentyl-5-methylimidazol-2-yl)ethylcarbamoylamino]acetate

methyl 2-[2-(1-cyclopentyl-5-methylimidazol-2-yl)ethylcarbamoylamino]acetate (PubChem CID 91923865) has the molecular formula C15H24N4O3 and a molecular weight of 308.38 g/mol. Its IUPAC name is methyl 2-[2-(1-cyclopentyl-5-methylimidazol-2-yl)ethylcarbamoylamino]acetate.

Molecular Properties

Compound Namemethyl 2-[2-(1-cyclopentyl-5-methylimidazol-2-yl)ethylcarbamoylamino]acetate
PubChem CID91923865
Molecular FormulaC15H24N4O3
Molecular Weight308.38 g/mol
Exact Mass308.18
IUPAC Namemethyl 2-[2-(1-cyclopentyl-5-methylimidazol-2-yl)ethylcarbamoylamino]acetate
SMILESCOC(=O)CNC(=O)NCCc1ncc(C)n1C1CCCC1
InChIInChI=1S/C15H24N4O3/c1-11-9-17-13(19(11)12-5-3-4-6-12)7-8-16-15(21)18-10-14(20)22-2/h9,12H,3-8,10H2,1-2H3,(H2,16,18,21)
InChIKeyJQOXYAMHQQUREG-UHFFFAOYSA-N
XLogP1.32
TPSA85.25 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500308.38
LogP ≤ 51.32
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of methyl 2-[2-(1-cyclopentyl-5-methylimidazol-2-yl)ethylcarbamoylamino]acetate?
The IUPAC name of methyl 2-[2-(1-cyclopentyl-5-methylimidazol-2-yl)ethylcarbamoylamino]acetate (CID 91923865) is methyl 2-[2-(1-cyclopentyl-5-methylimidazol-2-yl)ethylcarbamoylamino]acetate.
What is the SMILES notation for methyl 2-[2-(1-cyclopentyl-5-methylimidazol-2-yl)ethylcarbamoylamino]acetate?
The canonical SMILES for methyl 2-[2-(1-cyclopentyl-5-methylimidazol-2-yl)ethylcarbamoylamino]acetate is COC(=O)CNC(=O)NCCc1ncc(C)n1C1CCCC1.
What is the InChIKey of methyl 2-[2-(1-cyclopentyl-5-methylimidazol-2-yl)ethylcarbamoylamino]acetate?
The InChIKey is JQOXYAMHQQUREG-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H24N4O3/c1-11-9-17-13(19(11)12-5-3-4-6-12)7-8-16-15(21)18-10-14(20)22-2/h9,12H,3-8,10H2,1-2H3,(H2,16,18,21).
What are the key properties of methyl 2-[2-(1-cyclopentyl-5-methylimidazol-2-yl)ethylcarbamoylamino]acetate?
methyl 2-[2-(1-cyclopentyl-5-methylimidazol-2-yl)ethylcarbamoylamino]acetate has a molecular weight of 308.38 g/mol, XLogP of 1.32, 6 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 2-[2-(1-cyclopentyl-5-methylimidazol-2-yl)ethylcarbamoylamino]acetate is sourced from PubChem (CID 91923865), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).