(3-hydroxy-2,3-dimethylbutan-2-yl)oxy-[4-(morpholine-4-carbonyl)phenyl]borinic acid

C17H26BNO5 — CID 67257765

IUPAC(3-hydroxy-2,3-dimethylbutan-2-yl)oxy-[4-(morpholine-4-carbonyl)phenyl]borinic acid
SMILESCC(C)(O)C(C)(C)OB(O)c1ccc(C(=O)N2CCOCC2)cc1
InChIInChI=1S/C17H26BNO5/c1-16(2,21)17(3,4)24-18(22)14-7-5-13(6-8-14)15(20)19-9-11-23-12-10-19/h5-8,21-22H,9-12H2,1-4H3
InChIKeyOLTOHKYKPGKEPG-UHFFFAOYSA-N
MW335.21 g/mol
LogP0.41
Rot. Bonds5

About (3-hydroxy-2,3-dimethylbutan-2-yl)oxy-[4-(morpholine-4-carbonyl)phenyl]borinic acid

(3-hydroxy-2,3-dimethylbutan-2-yl)oxy-[4-(morpholine-4-carbonyl)phenyl]borinic acid (PubChem CID 67257765) has the molecular formula C17H26BNO5 and a molecular weight of 335.21 g/mol. Its IUPAC name is (3-hydroxy-2,3-dimethylbutan-2-yl)oxy-[4-(morpholine-4-carbonyl)phenyl]borinic acid.

Molecular Properties

Compound Name(3-hydroxy-2,3-dimethylbutan-2-yl)oxy-[4-(morpholine-4-carbonyl)phenyl]borinic acid
PubChem CID67257765
Molecular FormulaC17H26BNO5
Molecular Weight335.21 g/mol
Exact Mass335.19
IUPAC Name(3-hydroxy-2,3-dimethylbutan-2-yl)oxy-[4-(morpholine-4-carbonyl)phenyl]borinic acid
SMILESCC(C)(O)C(C)(C)OB(O)c1ccc(C(=O)N2CCOCC2)cc1
InChIInChI=1S/C17H26BNO5/c1-16(2,21)17(3,4)24-18(22)14-7-5-13(6-8-14)15(20)19-9-11-23-12-10-19/h5-8,21-22H,9-12H2,1-4H3
InChIKeyOLTOHKYKPGKEPG-UHFFFAOYSA-N
XLogP0.41
TPSA79.23 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500335.21
LogP ≤ 50.41
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'heavy_metal', 'substructure': 'N/A'}

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Related Compounds

[4-(2,2-dimethylpropyl)phenyl]-morpholin-4-ylmethanone
CID 58674996
[4-[(2S)-2-ethyl-2,5-dihydropyrrole-1-carbonyl]phenyl]-morpholin-4-ylmethanone
CID 164638599
[4-(4-methoxyphenyl)phenyl]-morpholin-4-ylmethanone
CID 3530238
lithium 4-(morpholine-4-carbonyl)benzoate
CID 142428468
ethane;(4-methylphenyl)-morpholin-4-ylmethanone;propane
CID 176553137
[4-(hydroxymethyl)phenyl]-morpholin-4-ylmethanone
CID 60635795
(4-fluoropiperidin-1-yl)-[4-(1,1,1-trifluoro-2-hydroxypropan-2-yl)phenyl]methanone
CID 143379605
N-tert-butyl-2-[4-(morpholine-4-carbonyl)anilino]acetamide
CID 54832569
[4-[(dimethylamino)methyl]phenyl]-morpholin-4-ylmethanone
CID 60699283
(4-fluorophenyl)-(1,4-oxazepan-4-yl)methanone
CID 62060048
4-(morpholine-4-carbonyl)benzenesulfonyl fluoride
CID 165461287
morpholin-4-yl-[4-(3-piperidin-1-ylazetidine-1-carbonyl)phenyl]methanone
CID 91828611

Frequently Asked Questions

What is the IUPAC name of (3-hydroxy-2,3-dimethylbutan-2-yl)oxy-[4-(morpholine-4-carbonyl)phenyl]borinic acid?
The IUPAC name of (3-hydroxy-2,3-dimethylbutan-2-yl)oxy-[4-(morpholine-4-carbonyl)phenyl]borinic acid (CID 67257765) is (3-hydroxy-2,3-dimethylbutan-2-yl)oxy-[4-(morpholine-4-carbonyl)phenyl]borinic acid.
What is the SMILES notation for (3-hydroxy-2,3-dimethylbutan-2-yl)oxy-[4-(morpholine-4-carbonyl)phenyl]borinic acid?
The canonical SMILES for (3-hydroxy-2,3-dimethylbutan-2-yl)oxy-[4-(morpholine-4-carbonyl)phenyl]borinic acid is CC(C)(O)C(C)(C)OB(O)c1ccc(C(=O)N2CCOCC2)cc1.
What is the InChIKey of (3-hydroxy-2,3-dimethylbutan-2-yl)oxy-[4-(morpholine-4-carbonyl)phenyl]borinic acid?
The InChIKey is OLTOHKYKPGKEPG-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H26BNO5/c1-16(2,21)17(3,4)24-18(22)14-7-5-13(6-8-14)15(20)19-9-11-23-12-10-19/h5-8,21-22H,9-12H2,1-4H3.
What are the key properties of (3-hydroxy-2,3-dimethylbutan-2-yl)oxy-[4-(morpholine-4-carbonyl)phenyl]borinic acid?
(3-hydroxy-2,3-dimethylbutan-2-yl)oxy-[4-(morpholine-4-carbonyl)phenyl]borinic acid has a molecular weight of 335.21 g/mol, XLogP of 0.41, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (3-hydroxy-2,3-dimethylbutan-2-yl)oxy-[4-(morpholine-4-carbonyl)phenyl]borinic acid is sourced from PubChem (CID 67257765), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).