oxolan-3-yl 4-(2-hydroxyethylamino)benzoate

C13H17NO4 — CID 55212550

IUPACoxolan-3-yl 4-(2-hydroxyethylamino)benzoate
SMILESO=C(OC1CCOC1)c1ccc(NCCO)cc1
InChIInChI=1S/C13H17NO4/c15-7-6-14-11-3-1-10(2-4-11)13(16)18-12-5-8-17-9-12/h1-4,12,14-15H,5-9H2
InChIKeyBBSWODOMVKNQGG-UHFFFAOYSA-N
MW251.28 g/mol
LogP1.04
Rot. Bonds5

About oxolan-3-yl 4-(2-hydroxyethylamino)benzoate

oxolan-3-yl 4-(2-hydroxyethylamino)benzoate (PubChem CID 55212550) has the molecular formula C13H17NO4 and a molecular weight of 251.28 g/mol. Its IUPAC name is oxolan-3-yl 4-(2-hydroxyethylamino)benzoate.

Molecular Properties

Compound Nameoxolan-3-yl 4-(2-hydroxyethylamino)benzoate
PubChem CID55212550
Molecular FormulaC13H17NO4
Molecular Weight251.28 g/mol
Exact Mass251.12
IUPAC Nameoxolan-3-yl 4-(2-hydroxyethylamino)benzoate
SMILESO=C(OC1CCOC1)c1ccc(NCCO)cc1
InChIInChI=1S/C13H17NO4/c15-7-6-14-11-3-1-10(2-4-11)13(16)18-12-5-8-17-9-12/h1-4,12,14-15H,5-9H2
InChIKeyBBSWODOMVKNQGG-UHFFFAOYSA-N
XLogP1.04
TPSA67.79 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500251.28
LogP ≤ 51.04
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

cycloheptyl 4-(2-hydroxyethylamino)benzoate
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oxolan-3-yl 4-fluorobenzoate
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oxolan-3-yl 4-aminobenzoate
CID 63558656
[(3S)-oxolan-3-yl] 4-chlorobenzoate
CID 95615076
oxolan-3-yl 3,4-dimethylbenzoate
CID 130399833
oxolan-3-yl 6-aminopyridine-3-carboxylate
CID 63557463
[(3S)-oxolan-3-yl] 4-(1,2,4-triazol-4-yl)benzoate
CID 86819658
oxolan-3-yl 4-chloro-3-chlorosulfonylbenzoate
CID 65374535
(3R)-oxolan-3-ol;[(3R)-oxolan-3-yl] 4-nitrobenzoate
CID 160721887
[(3S)-oxolan-3-yl] 1H-pyrazole-4-carboxylate
CID 130684136
oxolan-3-yl 3-methyl-4-propan-2-ylbenzoate
CID 130428223
oxolan-3-yl 3-chlorosulfonyl-4-(methoxymethyl)benzoate
CID 65375309

Frequently Asked Questions

What is the IUPAC name of oxolan-3-yl 4-(2-hydroxyethylamino)benzoate?
The IUPAC name of oxolan-3-yl 4-(2-hydroxyethylamino)benzoate (CID 55212550) is oxolan-3-yl 4-(2-hydroxyethylamino)benzoate.
What is the SMILES notation for oxolan-3-yl 4-(2-hydroxyethylamino)benzoate?
The canonical SMILES for oxolan-3-yl 4-(2-hydroxyethylamino)benzoate is O=C(OC1CCOC1)c1ccc(NCCO)cc1.
What is the InChIKey of oxolan-3-yl 4-(2-hydroxyethylamino)benzoate?
The InChIKey is BBSWODOMVKNQGG-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H17NO4/c15-7-6-14-11-3-1-10(2-4-11)13(16)18-12-5-8-17-9-12/h1-4,12,14-15H,5-9H2.
What are the key properties of oxolan-3-yl 4-(2-hydroxyethylamino)benzoate?
oxolan-3-yl 4-(2-hydroxyethylamino)benzoate has a molecular weight of 251.28 g/mol, XLogP of 1.04, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for oxolan-3-yl 4-(2-hydroxyethylamino)benzoate is sourced from PubChem (CID 55212550), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).