diphenylboranyl 2-aminoacetate

C14H14BNO2 — CID 11840443

IUPACdiphenylboranyl 2-aminoacetate
SMILESNCC(=O)OB(c1ccccc1)c1ccccc1
InChIInChI=1S/C14H14BNO2/c16-11-14(17)18-15(12-7-3-1-4-8-12)13-9-5-2-6-10-13/h1-10H,11,16H2
InChIKeyIVHLNYVPKWICDY-UHFFFAOYSA-N
MW239.08 g/mol
LogP0.29
Rot. Bonds4

About diphenylboranyl 2-aminoacetate

diphenylboranyl 2-aminoacetate (PubChem CID 11840443) has the molecular formula C14H14BNO2 and a molecular weight of 239.08 g/mol. Its IUPAC name is diphenylboranyl 2-aminoacetate.

Molecular Properties

Compound Namediphenylboranyl 2-aminoacetate
PubChem CID11840443
Molecular FormulaC14H14BNO2
Molecular Weight239.08 g/mol
Exact Mass239.11
IUPAC Namediphenylboranyl 2-aminoacetate
SMILESNCC(=O)OB(c1ccccc1)c1ccccc1
InChIInChI=1S/C14H14BNO2/c16-11-14(17)18-15(12-7-3-1-4-8-12)13-9-5-2-6-10-13/h1-10H,11,16H2
InChIKeyIVHLNYVPKWICDY-UHFFFAOYSA-N
XLogP0.29
TPSA52.32 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500239.08
LogP ≤ 50.29
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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 2-aminoacetate?
The IUPAC name of diphenylboranyl 2-aminoacetate (CID 11840443) is diphenylboranyl 2-aminoacetate.
What is the SMILES notation for diphenylboranyl 2-aminoacetate?
The canonical SMILES for diphenylboranyl 2-aminoacetate is NCC(=O)OB(c1ccccc1)c1ccccc1.
What is the InChIKey of diphenylboranyl 2-aminoacetate?
The InChIKey is IVHLNYVPKWICDY-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H14BNO2/c16-11-14(17)18-15(12-7-3-1-4-8-12)13-9-5-2-6-10-13/h1-10H,11,16H2.
What are the key properties of diphenylboranyl 2-aminoacetate?
diphenylboranyl 2-aminoacetate has a molecular weight of 239.08 g/mol, XLogP of 0.29, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for diphenylboranyl 2-aminoacetate is sourced from PubChem (CID 11840443), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).