[2-oxo-2-(oxolan-2-ylmethylamino)ethyl] 2-hydroxy-3-methylbenzoate

C15H19NO5 — CID 4237988

IUPAC[2-oxo-2-(oxolan-2-ylmethylamino)ethyl] 2-hydroxy-3-methylbenzoate
SMILESCc1cccc(C(=O)OCC(=O)NCC2CCCO2)c1O
InChIInChI=1S/C15H19NO5/c1-10-4-2-6-12(14(10)18)15(19)21-9-13(17)16-8-11-5-3-7-20-11/h2,4,6,11,18H,3,5,7-9H2,1H3,(H,16,17)
InChIKeyHQCKEDGCUUFEPE-UHFFFAOYSA-N
MW293.32 g/mol
LogP1.15
Rot. Bonds5

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

[2-oxo-2-(oxolan-2-ylmethylamino)ethyl] 2-hydroxy-3-methylbenzoate (PubChem CID 4237988) 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] 2-hydroxy-3-methylbenzoate.

Molecular Properties

Compound Name[2-oxo-2-(oxolan-2-ylmethylamino)ethyl] 2-hydroxy-3-methylbenzoate
PubChem CID4237988
Molecular FormulaC15H19NO5
Molecular Weight293.32 g/mol
Exact Mass293.13
IUPAC Name[2-oxo-2-(oxolan-2-ylmethylamino)ethyl] 2-hydroxy-3-methylbenzoate
SMILESCc1cccc(C(=O)OCC(=O)NCC2CCCO2)c1O
InChIInChI=1S/C15H19NO5/c1-10-4-2-6-12(14(10)18)15(19)21-9-13(17)16-8-11-5-3-7-20-11/h2,4,6,11,18H,3,5,7-9H2,1H3,(H,16,17)
InChIKeyHQCKEDGCUUFEPE-UHFFFAOYSA-N
XLogP1.15
TPSA84.86 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500293.32
LogP ≤ 51.15
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of [2-oxo-2-(oxolan-2-ylmethylamino)ethyl] 2-hydroxy-3-methylbenzoate?
The IUPAC name of [2-oxo-2-(oxolan-2-ylmethylamino)ethyl] 2-hydroxy-3-methylbenzoate (CID 4237988) is [2-oxo-2-(oxolan-2-ylmethylamino)ethyl] 2-hydroxy-3-methylbenzoate.
What is the SMILES notation for [2-oxo-2-(oxolan-2-ylmethylamino)ethyl] 2-hydroxy-3-methylbenzoate?
The canonical SMILES for [2-oxo-2-(oxolan-2-ylmethylamino)ethyl] 2-hydroxy-3-methylbenzoate is Cc1cccc(C(=O)OCC(=O)NCC2CCCO2)c1O.
What is the InChIKey of [2-oxo-2-(oxolan-2-ylmethylamino)ethyl] 2-hydroxy-3-methylbenzoate?
The InChIKey is HQCKEDGCUUFEPE-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H19NO5/c1-10-4-2-6-12(14(10)18)15(19)21-9-13(17)16-8-11-5-3-7-20-11/h2,4,6,11,18H,3,5,7-9H2,1H3,(H,16,17).
What are the key properties of [2-oxo-2-(oxolan-2-ylmethylamino)ethyl] 2-hydroxy-3-methylbenzoate?
[2-oxo-2-(oxolan-2-ylmethylamino)ethyl] 2-hydroxy-3-methylbenzoate has a molecular weight of 293.32 g/mol, XLogP of 1.15, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [2-oxo-2-(oxolan-2-ylmethylamino)ethyl] 2-hydroxy-3-methylbenzoate is sourced from PubChem (CID 4237988), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).