[2-oxo-2-(oxolan-2-ylmethylamino)ethyl] 4-methoxybenzoate

C15H19NO5 — CID 4129063

IUPAC[2-oxo-2-(oxolan-2-ylmethylamino)ethyl] 4-methoxybenzoate
SMILESCOc1ccc(C(=O)OCC(=O)NCC2CCCO2)cc1
InChIInChI=1S/C15H19NO5/c1-19-12-6-4-11(5-7-12)15(18)21-10-14(17)16-9-13-3-2-8-20-13/h4-7,13H,2-3,8-10H2,1H3,(H,16,17)
InChIKeyKIRFSUJELBDLPR-UHFFFAOYSA-N
MW293.32 g/mol
LogP1.15
Rot. Bonds6

About [2-oxo-2-(oxolan-2-ylmethylamino)ethyl] 4-methoxybenzoate

[2-oxo-2-(oxolan-2-ylmethylamino)ethyl] 4-methoxybenzoate (PubChem CID 4129063) 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] 4-methoxybenzoate.

Molecular Properties

Compound Name[2-oxo-2-(oxolan-2-ylmethylamino)ethyl] 4-methoxybenzoate
PubChem CID4129063
Molecular FormulaC15H19NO5
Molecular Weight293.32 g/mol
Exact Mass293.13
IUPAC Name[2-oxo-2-(oxolan-2-ylmethylamino)ethyl] 4-methoxybenzoate
SMILESCOc1ccc(C(=O)OCC(=O)NCC2CCCO2)cc1
InChIInChI=1S/C15H19NO5/c1-19-12-6-4-11(5-7-12)15(18)21-10-14(17)16-9-13-3-2-8-20-13/h4-7,13H,2-3,8-10H2,1H3,(H,16,17)
InChIKeyKIRFSUJELBDLPR-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

[2-oxo-2-[[(2S)-oxolan-2-yl]methylamino]ethyl] 4-ethylbenzoate
CID 2607157
[2-oxo-2-[[(2S)-oxolan-2-yl]methylamino]ethyl] 2-(4-methoxyphenoxy)acetate
CID 8905770
[2-oxo-2-[[(2S)-oxolan-2-yl]methylamino]ethyl] 3,4-dimethoxybenzoate
CID 8011905
[2-oxo-2-[[(2S)-oxolan-2-yl]methylamino]ethyl] 4-methylsulfanylbenzoate
CID 8507972
[2-oxo-2-[[(2S)-oxolan-2-yl]methylamino]ethyl] 2-fluoro-4-methoxybenzoate
CID 8509177
[2-oxo-2-(oxolan-2-ylmethylamino)ethyl] 2,6-dimethoxybenzoate
CID 23910544
[2-oxo-2-[[(2S)-oxolan-2-yl]methylamino]ethyl] pyridine-4-carboxylate
CID 7783951
[2-oxo-2-[[(2R)-oxolan-2-yl]methylamino]ethyl] 2-(4-methoxyphenyl)sulfanylacetate
CID 8548384
[2-oxo-2-(oxolan-2-ylmethylamino)ethyl] 4-[2-(2,6-dimethylpiperidin-1-yl)-2-oxoethoxy]benzoate
CID 16507910
[2-oxo-2-[[(2R)-oxolan-2-yl]methylamino]ethyl] 6-methoxy-2-methylquinoline-3-carboxylate
CID 41022666
[2-oxo-2-[[(2S)-oxolan-2-yl]methylamino]ethyl] 4-(ethylsulfamoyl)benzoate
CID 7828186
[2-oxo-2-[[(2R)-oxolan-2-yl]methylamino]ethyl] 3,4-dichlorobenzoate
CID 7864832

Frequently Asked Questions

What is the IUPAC name of [2-oxo-2-(oxolan-2-ylmethylamino)ethyl] 4-methoxybenzoate?
The IUPAC name of [2-oxo-2-(oxolan-2-ylmethylamino)ethyl] 4-methoxybenzoate (CID 4129063) is [2-oxo-2-(oxolan-2-ylmethylamino)ethyl] 4-methoxybenzoate.
What is the SMILES notation for [2-oxo-2-(oxolan-2-ylmethylamino)ethyl] 4-methoxybenzoate?
The canonical SMILES for [2-oxo-2-(oxolan-2-ylmethylamino)ethyl] 4-methoxybenzoate is COc1ccc(C(=O)OCC(=O)NCC2CCCO2)cc1.
What is the InChIKey of [2-oxo-2-(oxolan-2-ylmethylamino)ethyl] 4-methoxybenzoate?
The InChIKey is KIRFSUJELBDLPR-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H19NO5/c1-19-12-6-4-11(5-7-12)15(18)21-10-14(17)16-9-13-3-2-8-20-13/h4-7,13H,2-3,8-10H2,1H3,(H,16,17).
What are the key properties of [2-oxo-2-(oxolan-2-ylmethylamino)ethyl] 4-methoxybenzoate?
[2-oxo-2-(oxolan-2-ylmethylamino)ethyl] 4-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] 4-methoxybenzoate is sourced from PubChem (CID 4129063), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).