[4-(morpholine-4-carbonyl)phenyl]boronic acid

C11H14BNO4 — CID 2773546

IUPAC[4-(morpholine-4-carbonyl)phenyl]boronic acid
SMILESO=C(c1ccc(B(O)O)cc1)N1CCOCC1
InChIInChI=1S/C11H14BNO4/c14-11(13-5-7-17-8-6-13)9-1-3-10(4-2-9)12(15)16/h1-4,15-16H,5-8H2
InChIKeyKMNLIQJXZPBCDU-UHFFFAOYSA-N
MW235.05 g/mol
LogP-1.16
Rot. Bonds2

About [4-(morpholine-4-carbonyl)phenyl]boronic acid

[4-(morpholine-4-carbonyl)phenyl]boronic acid (PubChem CID 2773546) has the molecular formula C11H14BNO4 and a molecular weight of 235.05 g/mol. Its IUPAC name is [4-(morpholine-4-carbonyl)phenyl]boronic acid.

Molecular Properties

Compound Name[4-(morpholine-4-carbonyl)phenyl]boronic acid
PubChem CID2773546
Molecular FormulaC11H14BNO4
Molecular Weight235.05 g/mol
Exact Mass235.10
IUPAC Name[4-(morpholine-4-carbonyl)phenyl]boronic acid
SMILESO=C(c1ccc(B(O)O)cc1)N1CCOCC1
InChIInChI=1S/C11H14BNO4/c14-11(13-5-7-17-8-6-13)9-1-3-10(4-2-9)12(15)16/h1-4,15-16H,5-8H2
InChIKeyKMNLIQJXZPBCDU-UHFFFAOYSA-N
XLogP-1.16
TPSA70.00 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500235.05
LogP ≤ 5-1.16
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of [4-(morpholine-4-carbonyl)phenyl]boronic acid?
The IUPAC name of [4-(morpholine-4-carbonyl)phenyl]boronic acid (CID 2773546) is [4-(morpholine-4-carbonyl)phenyl]boronic acid.
What is the SMILES notation for [4-(morpholine-4-carbonyl)phenyl]boronic acid?
The canonical SMILES for [4-(morpholine-4-carbonyl)phenyl]boronic acid is O=C(c1ccc(B(O)O)cc1)N1CCOCC1.
What is the InChIKey of [4-(morpholine-4-carbonyl)phenyl]boronic acid?
The InChIKey is KMNLIQJXZPBCDU-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H14BNO4/c14-11(13-5-7-17-8-6-13)9-1-3-10(4-2-9)12(15)16/h1-4,15-16H,5-8H2.
What are the key properties of [4-(morpholine-4-carbonyl)phenyl]boronic acid?
[4-(morpholine-4-carbonyl)phenyl]boronic acid has a molecular weight of 235.05 g/mol, XLogP of -1.16, 2 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [4-(morpholine-4-carbonyl)phenyl]boronic acid is sourced from PubChem (CID 2773546), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).