[2-oxo-2-(oxolan-2-ylmethylamino)ethyl] 3-methoxybenzoate

C15H19NO5 — CID 4188919

IUPAC[2-oxo-2-(oxolan-2-ylmethylamino)ethyl] 3-methoxybenzoate
SMILESCOc1cccc(C(=O)OCC(=O)NCC2CCCO2)c1
InChIInChI=1S/C15H19NO5/c1-19-12-5-2-4-11(8-12)15(18)21-10-14(17)16-9-13-6-3-7-20-13/h2,4-5,8,13H,3,6-7,9-10H2,1H3,(H,16,17)
InChIKeyWSHZFYGCNLDONM-UHFFFAOYSA-N
MW293.32 g/mol
LogP1.15
Rot. Bonds6

About [2-oxo-2-(oxolan-2-ylmethylamino)ethyl] 3-methoxybenzoate

[2-oxo-2-(oxolan-2-ylmethylamino)ethyl] 3-methoxybenzoate (PubChem CID 4188919) has the molecular formula C15H19NO5 and a molecular weight of 293.32 g/mol. Its IUPAC name is [2-oxo-2-(oxolan-2-ylmethylamino)ethyl] 3-methoxybenzoate.

Molecular Properties

Compound Name[2-oxo-2-(oxolan-2-ylmethylamino)ethyl] 3-methoxybenzoate
PubChem CID4188919
Molecular FormulaC15H19NO5
Molecular Weight293.32 g/mol
Exact Mass293.13
IUPAC Name[2-oxo-2-(oxolan-2-ylmethylamino)ethyl] 3-methoxybenzoate
SMILESCOc1cccc(C(=O)OCC(=O)NCC2CCCO2)c1
InChIInChI=1S/C15H19NO5/c1-19-12-5-2-4-11(8-12)15(18)21-10-14(17)16-9-13-6-3-7-20-13/h2,4-5,8,13H,3,6-7,9-10H2,1H3,(H,16,17)
InChIKeyWSHZFYGCNLDONM-UHFFFAOYSA-N
XLogP1.15
TPSA73.86 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500293.32
LogP ≤ 51.15
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

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Frequently Asked Questions

What is the IUPAC name of [2-oxo-2-(oxolan-2-ylmethylamino)ethyl] 3-methoxybenzoate?
The IUPAC name of [2-oxo-2-(oxolan-2-ylmethylamino)ethyl] 3-methoxybenzoate (CID 4188919) is [2-oxo-2-(oxolan-2-ylmethylamino)ethyl] 3-methoxybenzoate.
What is the SMILES notation for [2-oxo-2-(oxolan-2-ylmethylamino)ethyl] 3-methoxybenzoate?
The canonical SMILES for [2-oxo-2-(oxolan-2-ylmethylamino)ethyl] 3-methoxybenzoate is COc1cccc(C(=O)OCC(=O)NCC2CCCO2)c1.
What is the InChIKey of [2-oxo-2-(oxolan-2-ylmethylamino)ethyl] 3-methoxybenzoate?
The InChIKey is WSHZFYGCNLDONM-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H19NO5/c1-19-12-5-2-4-11(8-12)15(18)21-10-14(17)16-9-13-6-3-7-20-13/h2,4-5,8,13H,3,6-7,9-10H2,1H3,(H,16,17).
What are the key properties of [2-oxo-2-(oxolan-2-ylmethylamino)ethyl] 3-methoxybenzoate?
[2-oxo-2-(oxolan-2-ylmethylamino)ethyl] 3-methoxybenzoate has a molecular weight of 293.32 g/mol, XLogP of 1.15, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [2-oxo-2-(oxolan-2-ylmethylamino)ethyl] 3-methoxybenzoate is sourced from PubChem (CID 4188919), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).