[2-oxo-2-(oxolan-2-ylmethylamino)ethyl] 2-hydroxy-5-morpholin-4-ylsulfonylbenzoate

C18H24N2O8S — CID 2999615

IUPAC[2-oxo-2-(oxolan-2-ylmethylamino)ethyl] 2-hydroxy-5-morpholin-4-ylsulfonylbenzoate
SMILESO=C(COC(=O)c1cc(S(=O)(=O)N2CCOCC2)ccc1O)NCC1CCCO1
InChIInChI=1S/C18H24N2O8S/c21-16-4-3-14(29(24,25)20-5-8-26-9-6-20)10-15(16)18(23)28-12-17(22)19-11-13-2-1-7-27-13/h3-4,10,13,21H,1-2,5-9,11-12H2,(H,19,22)
InChIKeyPZRCJXDDGXJSRS-UHFFFAOYSA-N
MW428.46 g/mol
LogP-0.13
Rot. Bonds7

About [2-oxo-2-(oxolan-2-ylmethylamino)ethyl] 2-hydroxy-5-morpholin-4-ylsulfonylbenzoate

[2-oxo-2-(oxolan-2-ylmethylamino)ethyl] 2-hydroxy-5-morpholin-4-ylsulfonylbenzoate (PubChem CID 2999615) has the molecular formula C18H24N2O8S and a molecular weight of 428.46 g/mol. Its IUPAC name is [2-oxo-2-(oxolan-2-ylmethylamino)ethyl] 2-hydroxy-5-morpholin-4-ylsulfonylbenzoate.

Molecular Properties

Compound Name[2-oxo-2-(oxolan-2-ylmethylamino)ethyl] 2-hydroxy-5-morpholin-4-ylsulfonylbenzoate
PubChem CID2999615
Molecular FormulaC18H24N2O8S
Molecular Weight428.46 g/mol
Exact Mass428.13
IUPAC Name[2-oxo-2-(oxolan-2-ylmethylamino)ethyl] 2-hydroxy-5-morpholin-4-ylsulfonylbenzoate
SMILESO=C(COC(=O)c1cc(S(=O)(=O)N2CCOCC2)ccc1O)NCC1CCCO1
InChIInChI=1S/C18H24N2O8S/c21-16-4-3-14(29(24,25)20-5-8-26-9-6-20)10-15(16)18(23)28-12-17(22)19-11-13-2-1-7-27-13/h3-4,10,13,21H,1-2,5-9,11-12H2,(H,19,22)
InChIKeyPZRCJXDDGXJSRS-UHFFFAOYSA-N
XLogP-0.13
TPSA131.47 Ų
H-Bond Donors2
H-Bond Acceptors8
Rotatable Bonds7
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500428.46
LogP ≤ 5-0.13
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 108

Analyze [2-oxo-2-(oxolan-2-ylmethylamino)ethyl] 2-hydroxy-5-morpholin-4-ylsulfonylbenzoate with MolForge

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Related Compounds

[2-[(3,4-Dimethoxyphenyl)methylamino]-2-oxoethyl] 2-hydroxy-5-morpholin-4-ylsulfonylbenzoate
CID 3956184
(2-Oxo-2-pyrrolidin-1-ylethyl) 5-(diethylsulfamoyl)-2-hydroxybenzoate
CID 2361888
[2-(Tert-butylamino)-2-oxoethyl] 5-(azepan-1-ylsulfonyl)-2-methoxybenzoate
CID 2435854
2-Oxo-2-(tricyclo[3.3.1.13,7]dec-1-ylamino)ethyl 5-[(diethylamino)sulfonyl]-2-hydroxybenzoate
CID 5113069
[2-(3-Methylpiperidin-1-yl)-2-oxoethyl] 2-methoxy-5-sulfamoylbenzoate
CID 16275278
[2-Oxo-2-(2-phenylethylamino)ethyl] 2-hydroxy-5-pyrrolidin-1-ylsulfonylbenzoate
CID 4574982
[2-[Benzyl(methyl)amino]-2-oxoethyl] 5-(diethylsulfamoyl)-2-hydroxybenzoate
CID 2361881
[2-(Cyclopentylamino)-2-oxoethyl] 5-(diethylsulfamoyl)-2-hydroxybenzoate
CID 2393503
[2-(Butylamino)-2-oxoethyl] 5-(azepan-1-ylsulfonyl)-2-methoxybenzoate
CID 4014138
[2-Oxo-2-(2-phenylethylamino)ethyl] 2-hydroxy-5-morpholin-4-ylsulfonylbenzoate
CID 4268036
5-[5-((R)-1-Carboxy-2-oxo-ethylcarbamoyl)-pentylsulfamoyl]-2-hydroxy-benzoic acid
CID 44343519
[2-(Benzylamino)-2-oxoethyl] 2-hydroxy-5-pyrrolidin-1-ylsulfonylbenzoate
CID 2123256

Frequently Asked Questions

What is the IUPAC name of [2-oxo-2-(oxolan-2-ylmethylamino)ethyl] 2-hydroxy-5-morpholin-4-ylsulfonylbenzoate?
The IUPAC name of [2-oxo-2-(oxolan-2-ylmethylamino)ethyl] 2-hydroxy-5-morpholin-4-ylsulfonylbenzoate (CID 2999615) is [2-oxo-2-(oxolan-2-ylmethylamino)ethyl] 2-hydroxy-5-morpholin-4-ylsulfonylbenzoate.
What is the SMILES notation for [2-oxo-2-(oxolan-2-ylmethylamino)ethyl] 2-hydroxy-5-morpholin-4-ylsulfonylbenzoate?
The canonical SMILES for [2-oxo-2-(oxolan-2-ylmethylamino)ethyl] 2-hydroxy-5-morpholin-4-ylsulfonylbenzoate is O=C(COC(=O)c1cc(S(=O)(=O)N2CCOCC2)ccc1O)NCC1CCCO1.
What is the InChIKey of [2-oxo-2-(oxolan-2-ylmethylamino)ethyl] 2-hydroxy-5-morpholin-4-ylsulfonylbenzoate?
The InChIKey is PZRCJXDDGXJSRS-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H24N2O8S/c21-16-4-3-14(29(24,25)20-5-8-26-9-6-20)10-15(16)18(23)28-12-17(22)19-11-13-2-1-7-27-13/h3-4,10,13,21H,1-2,5-9,11-12H2,(H,19,22).
What are the key properties of [2-oxo-2-(oxolan-2-ylmethylamino)ethyl] 2-hydroxy-5-morpholin-4-ylsulfonylbenzoate?
[2-oxo-2-(oxolan-2-ylmethylamino)ethyl] 2-hydroxy-5-morpholin-4-ylsulfonylbenzoate has a molecular weight of 428.46 g/mol, XLogP of -0.13, 7 rotatable bonds, 2 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for [2-oxo-2-(oxolan-2-ylmethylamino)ethyl] 2-hydroxy-5-morpholin-4-ylsulfonylbenzoate is sourced from PubChem (CID 2999615), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).