methyl 3-[(2-cyclopent-2-en-1-ylacetyl)-(2-methoxyethyl)amino]propanoate

C14H23NO4 — CID 78958882

IUPACmethyl 3-[(2-cyclopent-2-en-1-ylacetyl)-(2-methoxyethyl)amino]propanoate
SMILESCOCCN(CCC(=O)OC)C(=O)CC1C=CCC1
InChIInChI=1S/C14H23NO4/c1-18-10-9-15(8-7-14(17)19-2)13(16)11-12-5-3-4-6-12/h3,5,12H,4,6-11H2,1-2H3
InChIKeyLKZKDUUQSZQFDH-UHFFFAOYSA-N
MW269.34 g/mol
LogP1.38
Rot. Bonds8

About methyl 3-[(2-cyclopent-2-en-1-ylacetyl)-(2-methoxyethyl)amino]propanoate

methyl 3-[(2-cyclopent-2-en-1-ylacetyl)-(2-methoxyethyl)amino]propanoate (PubChem CID 78958882) has the molecular formula C14H23NO4 and a molecular weight of 269.34 g/mol. Its IUPAC name is methyl 3-[(2-cyclopent-2-en-1-ylacetyl)-(2-methoxyethyl)amino]propanoate.

Molecular Properties

Compound Namemethyl 3-[(2-cyclopent-2-en-1-ylacetyl)-(2-methoxyethyl)amino]propanoate
PubChem CID78958882
Molecular FormulaC14H23NO4
Molecular Weight269.34 g/mol
Exact Mass269.16
IUPAC Namemethyl 3-[(2-cyclopent-2-en-1-ylacetyl)-(2-methoxyethyl)amino]propanoate
SMILESCOCCN(CCC(=O)OC)C(=O)CC1C=CCC1
InChIInChI=1S/C14H23NO4/c1-18-10-9-15(8-7-14(17)19-2)13(16)11-12-5-3-4-6-12/h3,5,12H,4,6-11H2,1-2H3
InChIKeyLKZKDUUQSZQFDH-UHFFFAOYSA-N
XLogP1.38
TPSA55.84 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500269.34
LogP ≤ 51.38
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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 3-[(2-cyclopent-2-en-1-ylacetyl)-(2-methoxyethyl)amino]propanoate?
The IUPAC name of methyl 3-[(2-cyclopent-2-en-1-ylacetyl)-(2-methoxyethyl)amino]propanoate (CID 78958882) is methyl 3-[(2-cyclopent-2-en-1-ylacetyl)-(2-methoxyethyl)amino]propanoate.
What is the SMILES notation for methyl 3-[(2-cyclopent-2-en-1-ylacetyl)-(2-methoxyethyl)amino]propanoate?
The canonical SMILES for methyl 3-[(2-cyclopent-2-en-1-ylacetyl)-(2-methoxyethyl)amino]propanoate is COCCN(CCC(=O)OC)C(=O)CC1C=CCC1.
What is the InChIKey of methyl 3-[(2-cyclopent-2-en-1-ylacetyl)-(2-methoxyethyl)amino]propanoate?
The InChIKey is LKZKDUUQSZQFDH-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H23NO4/c1-18-10-9-15(8-7-14(17)19-2)13(16)11-12-5-3-4-6-12/h3,5,12H,4,6-11H2,1-2H3.
What are the key properties of methyl 3-[(2-cyclopent-2-en-1-ylacetyl)-(2-methoxyethyl)amino]propanoate?
methyl 3-[(2-cyclopent-2-en-1-ylacetyl)-(2-methoxyethyl)amino]propanoate has a molecular weight of 269.34 g/mol, XLogP of 1.38, 8 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 3-[(2-cyclopent-2-en-1-ylacetyl)-(2-methoxyethyl)amino]propanoate is sourced from PubChem (CID 78958882), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).