methyl 2-[(2-cyclopent-2-en-1-ylacetyl)-methylamino]acetate

C11H17NO3 — CID 43407690

IUPACmethyl 2-[(2-cyclopent-2-en-1-ylacetyl)-methylamino]acetate
SMILESCOC(=O)CN(C)C(=O)CC1C=CCC1
InChIInChI=1S/C11H17NO3/c1-12(8-11(14)15-2)10(13)7-9-5-3-4-6-9/h3,5,9H,4,6-8H2,1-2H3
InChIKeyCFXLXEQGMGSHIZ-UHFFFAOYSA-N
MW211.26 g/mol
LogP0.97
Rot. Bonds4

About methyl 2-[(2-cyclopent-2-en-1-ylacetyl)-methylamino]acetate

methyl 2-[(2-cyclopent-2-en-1-ylacetyl)-methylamino]acetate (PubChem CID 43407690) has the molecular formula C11H17NO3 and a molecular weight of 211.26 g/mol. Its IUPAC name is methyl 2-[(2-cyclopent-2-en-1-ylacetyl)-methylamino]acetate.

Molecular Properties

Compound Namemethyl 2-[(2-cyclopent-2-en-1-ylacetyl)-methylamino]acetate
PubChem CID43407690
Molecular FormulaC11H17NO3
Molecular Weight211.26 g/mol
Exact Mass211.12
IUPAC Namemethyl 2-[(2-cyclopent-2-en-1-ylacetyl)-methylamino]acetate
SMILESCOC(=O)CN(C)C(=O)CC1C=CCC1
InChIInChI=1S/C11H17NO3/c1-12(8-11(14)15-2)10(13)7-9-5-3-4-6-9/h3,5,9H,4,6-8H2,1-2H3
InChIKeyCFXLXEQGMGSHIZ-UHFFFAOYSA-N
XLogP0.97
TPSA46.61 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500211.26
LogP ≤ 50.97
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of methyl 2-[(2-cyclopent-2-en-1-ylacetyl)-methylamino]acetate?
The IUPAC name of methyl 2-[(2-cyclopent-2-en-1-ylacetyl)-methylamino]acetate (CID 43407690) is methyl 2-[(2-cyclopent-2-en-1-ylacetyl)-methylamino]acetate.
What is the SMILES notation for methyl 2-[(2-cyclopent-2-en-1-ylacetyl)-methylamino]acetate?
The canonical SMILES for methyl 2-[(2-cyclopent-2-en-1-ylacetyl)-methylamino]acetate is COC(=O)CN(C)C(=O)CC1C=CCC1.
What is the InChIKey of methyl 2-[(2-cyclopent-2-en-1-ylacetyl)-methylamino]acetate?
The InChIKey is CFXLXEQGMGSHIZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H17NO3/c1-12(8-11(14)15-2)10(13)7-9-5-3-4-6-9/h3,5,9H,4,6-8H2,1-2H3.
What are the key properties of methyl 2-[(2-cyclopent-2-en-1-ylacetyl)-methylamino]acetate?
methyl 2-[(2-cyclopent-2-en-1-ylacetyl)-methylamino]acetate has a molecular weight of 211.26 g/mol, XLogP of 0.97, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 2-[(2-cyclopent-2-en-1-ylacetyl)-methylamino]acetate is sourced from PubChem (CID 43407690), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).