diphenylboranyl 4-hydroxypyrrolidine-2-carboxylate

C17H18BNO3 — CID 15607068

IUPACdiphenylboranyl 4-hydroxypyrrolidine-2-carboxylate
SMILESO=C(OB(c1ccccc1)c1ccccc1)C1CC(O)CN1
InChIInChI=1S/C17H18BNO3/c20-15-11-16(19-12-15)17(21)22-18(13-7-3-1-4-8-13)14-9-5-2-6-10-14/h1-10,15-16,19-20H,11-12H2
InChIKeyCSHBPFMJRSQMHH-UHFFFAOYSA-N
MW295.15 g/mol
LogP0.06
Rot. Bonds4

About diphenylboranyl 4-hydroxypyrrolidine-2-carboxylate

diphenylboranyl 4-hydroxypyrrolidine-2-carboxylate (PubChem CID 15607068) has the molecular formula C17H18BNO3 and a molecular weight of 295.15 g/mol. Its IUPAC name is diphenylboranyl 4-hydroxypyrrolidine-2-carboxylate.

Molecular Properties

Compound Namediphenylboranyl 4-hydroxypyrrolidine-2-carboxylate
PubChem CID15607068
Molecular FormulaC17H18BNO3
Molecular Weight295.15 g/mol
Exact Mass295.14
IUPAC Namediphenylboranyl 4-hydroxypyrrolidine-2-carboxylate
SMILESO=C(OB(c1ccccc1)c1ccccc1)C1CC(O)CN1
InChIInChI=1S/C17H18BNO3/c20-15-11-16(19-12-15)17(21)22-18(13-7-3-1-4-8-13)14-9-5-2-6-10-14/h1-10,15-16,19-20H,11-12H2
InChIKeyCSHBPFMJRSQMHH-UHFFFAOYSA-N
XLogP0.06
TPSA58.56 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500295.15
LogP ≤ 50.06
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 diphenylboranyl 4-hydroxypyrrolidine-2-carboxylate?
The IUPAC name of diphenylboranyl 4-hydroxypyrrolidine-2-carboxylate (CID 15607068) is diphenylboranyl 4-hydroxypyrrolidine-2-carboxylate.
What is the SMILES notation for diphenylboranyl 4-hydroxypyrrolidine-2-carboxylate?
The canonical SMILES for diphenylboranyl 4-hydroxypyrrolidine-2-carboxylate is O=C(OB(c1ccccc1)c1ccccc1)C1CC(O)CN1.
What is the InChIKey of diphenylboranyl 4-hydroxypyrrolidine-2-carboxylate?
The InChIKey is CSHBPFMJRSQMHH-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H18BNO3/c20-15-11-16(19-12-15)17(21)22-18(13-7-3-1-4-8-13)14-9-5-2-6-10-14/h1-10,15-16,19-20H,11-12H2.
What are the key properties of diphenylboranyl 4-hydroxypyrrolidine-2-carboxylate?
diphenylboranyl 4-hydroxypyrrolidine-2-carboxylate has a molecular weight of 295.15 g/mol, XLogP of 0.06, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for diphenylboranyl 4-hydroxypyrrolidine-2-carboxylate is sourced from PubChem (CID 15607068), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).