[4-(methoxycarbonylamino)phenoxy]boronic acid

C8H10BNO5 — CID 142779925

IUPAC[4-(methoxycarbonylamino)phenoxy]boronic acid
SMILESCOC(=O)Nc1ccc(OB(O)O)cc1
InChIInChI=1S/C8H10BNO5/c1-14-8(11)10-6-2-4-7(5-3-6)15-9(12)13/h2-5,12-13H,1H3,(H,10,11)
InChIKeyVEBAUZMSLVRZAC-UHFFFAOYSA-N
MW210.98 g/mol
LogP0.21
Rot. Bonds3

About [4-(methoxycarbonylamino)phenoxy]boronic acid

[4-(methoxycarbonylamino)phenoxy]boronic acid (PubChem CID 142779925) has the molecular formula C8H10BNO5 and a molecular weight of 210.98 g/mol. Its IUPAC name is [4-(methoxycarbonylamino)phenoxy]boronic acid.

Molecular Properties

Compound Name[4-(methoxycarbonylamino)phenoxy]boronic acid
PubChem CID142779925
Molecular FormulaC8H10BNO5
Molecular Weight210.98 g/mol
Exact Mass211.07
IUPAC Name[4-(methoxycarbonylamino)phenoxy]boronic acid
SMILESCOC(=O)Nc1ccc(OB(O)O)cc1
InChIInChI=1S/C8H10BNO5/c1-14-8(11)10-6-2-4-7(5-3-6)15-9(12)13/h2-5,12-13H,1H3,(H,10,11)
InChIKeyVEBAUZMSLVRZAC-UHFFFAOYSA-N
XLogP0.21
TPSA88.02 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500210.98
LogP ≤ 50.21
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

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-(methoxycarbonylamino)phenoxy]boronic acid?
The IUPAC name of [4-(methoxycarbonylamino)phenoxy]boronic acid (CID 142779925) is [4-(methoxycarbonylamino)phenoxy]boronic acid.
What is the SMILES notation for [4-(methoxycarbonylamino)phenoxy]boronic acid?
The canonical SMILES for [4-(methoxycarbonylamino)phenoxy]boronic acid is COC(=O)Nc1ccc(OB(O)O)cc1.
What is the InChIKey of [4-(methoxycarbonylamino)phenoxy]boronic acid?
The InChIKey is VEBAUZMSLVRZAC-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H10BNO5/c1-14-8(11)10-6-2-4-7(5-3-6)15-9(12)13/h2-5,12-13H,1H3,(H,10,11).
What are the key properties of [4-(methoxycarbonylamino)phenoxy]boronic acid?
[4-(methoxycarbonylamino)phenoxy]boronic acid has a molecular weight of 210.98 g/mol, XLogP of 0.21, 3 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [4-(methoxycarbonylamino)phenoxy]boronic acid is sourced from PubChem (CID 142779925), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).