diphenylboranyl 2-amino-3-hydroxypropanoate

C15H16BNO3 — CID 15607056

IUPACdiphenylboranyl 2-amino-3-hydroxypropanoate
SMILESNC(CO)C(=O)OB(c1ccccc1)c1ccccc1
InChIInChI=1S/C15H16BNO3/c17-14(11-18)15(19)20-16(12-7-3-1-4-8-12)13-9-5-2-6-10-13/h1-10,14,18H,11,17H2
InChIKeyKEEDBWSHNMLMJV-UHFFFAOYSA-N
MW269.11 g/mol
LogP-0.34
Rot. Bonds5

About diphenylboranyl 2-amino-3-hydroxypropanoate

diphenylboranyl 2-amino-3-hydroxypropanoate (PubChem CID 15607056) has the molecular formula C15H16BNO3 and a molecular weight of 269.11 g/mol. Its IUPAC name is diphenylboranyl 2-amino-3-hydroxypropanoate.

Molecular Properties

Compound Namediphenylboranyl 2-amino-3-hydroxypropanoate
PubChem CID15607056
Molecular FormulaC15H16BNO3
Molecular Weight269.11 g/mol
Exact Mass269.12
IUPAC Namediphenylboranyl 2-amino-3-hydroxypropanoate
SMILESNC(CO)C(=O)OB(c1ccccc1)c1ccccc1
InChIInChI=1S/C15H16BNO3/c17-14(11-18)15(19)20-16(12-7-3-1-4-8-12)13-9-5-2-6-10-13/h1-10,14,18H,11,17H2
InChIKeyKEEDBWSHNMLMJV-UHFFFAOYSA-N
XLogP-0.34
TPSA72.55 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500269.11
LogP ≤ 5-0.34
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 2-amino-3-hydroxypropanoate?
The IUPAC name of diphenylboranyl 2-amino-3-hydroxypropanoate (CID 15607056) is diphenylboranyl 2-amino-3-hydroxypropanoate.
What is the SMILES notation for diphenylboranyl 2-amino-3-hydroxypropanoate?
The canonical SMILES for diphenylboranyl 2-amino-3-hydroxypropanoate is NC(CO)C(=O)OB(c1ccccc1)c1ccccc1.
What is the InChIKey of diphenylboranyl 2-amino-3-hydroxypropanoate?
The InChIKey is KEEDBWSHNMLMJV-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H16BNO3/c17-14(11-18)15(19)20-16(12-7-3-1-4-8-12)13-9-5-2-6-10-13/h1-10,14,18H,11,17H2.
What are the key properties of diphenylboranyl 2-amino-3-hydroxypropanoate?
diphenylboranyl 2-amino-3-hydroxypropanoate has a molecular weight of 269.11 g/mol, XLogP of -0.34, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for diphenylboranyl 2-amino-3-hydroxypropanoate is sourced from PubChem (CID 15607056), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).