diphenylboranyl (2S)-2-amino-3-hydroxybutanoate

C16H18BNO3 — CID 134867320

IUPACdiphenylboranyl (2S)-2-amino-3-hydroxybutanoate
SMILESCC(O)[C@H](N)C(=O)OB(c1ccccc1)c1ccccc1
InChIInChI=1S/C16H18BNO3/c1-12(19)15(18)16(20)21-17(13-8-4-2-5-9-13)14-10-6-3-7-11-14/h2-12,15,19H,18H2,1H3/t12?,15-/m0/s1
InChIKeyYWSHJDZMGRKKKP-CVRLYYSRSA-N
MW283.14 g/mol
LogP0.04
Rot. Bonds5

About diphenylboranyl (2S)-2-amino-3-hydroxybutanoate

diphenylboranyl (2S)-2-amino-3-hydroxybutanoate (PubChem CID 134867320) has the molecular formula C16H18BNO3 and a molecular weight of 283.14 g/mol. Its IUPAC name is diphenylboranyl (2S)-2-amino-3-hydroxybutanoate.

Molecular Properties

Compound Namediphenylboranyl (2S)-2-amino-3-hydroxybutanoate
PubChem CID134867320
Molecular FormulaC16H18BNO3
Molecular Weight283.14 g/mol
Exact Mass283.14
IUPAC Namediphenylboranyl (2S)-2-amino-3-hydroxybutanoate
SMILESCC(O)[C@H](N)C(=O)OB(c1ccccc1)c1ccccc1
InChIInChI=1S/C16H18BNO3/c1-12(19)15(18)16(20)21-17(13-8-4-2-5-9-13)14-10-6-3-7-11-14/h2-12,15,19H,18H2,1H3/t12?,15-/m0/s1
InChIKeyYWSHJDZMGRKKKP-CVRLYYSRSA-N
XLogP0.04
TPSA72.55 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500283.14
LogP ≤ 50.04
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 (2S)-2-amino-3-hydroxybutanoate?
The IUPAC name of diphenylboranyl (2S)-2-amino-3-hydroxybutanoate (CID 134867320) is diphenylboranyl (2S)-2-amino-3-hydroxybutanoate.
What is the SMILES notation for diphenylboranyl (2S)-2-amino-3-hydroxybutanoate?
The canonical SMILES for diphenylboranyl (2S)-2-amino-3-hydroxybutanoate is CC(O)[C@H](N)C(=O)OB(c1ccccc1)c1ccccc1.
What is the InChIKey of diphenylboranyl (2S)-2-amino-3-hydroxybutanoate?
The InChIKey is YWSHJDZMGRKKKP-CVRLYYSRSA-N. The full InChI is InChI=1S/C16H18BNO3/c1-12(19)15(18)16(20)21-17(13-8-4-2-5-9-13)14-10-6-3-7-11-14/h2-12,15,19H,18H2,1H3/t12?,15-/m0/s1.
What are the key properties of diphenylboranyl (2S)-2-amino-3-hydroxybutanoate?
diphenylboranyl (2S)-2-amino-3-hydroxybutanoate has a molecular weight of 283.14 g/mol, XLogP of 0.04, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for diphenylboranyl (2S)-2-amino-3-hydroxybutanoate is sourced from PubChem (CID 134867320), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).