[(4R)-4-formyl-2,2-dimethyl-1,3-oxazolidin-3-yl]-methylborinic acid

C7H14BNO3 — CID 58525241

IUPAC[(4R)-4-formyl-2,2-dimethyl-1,3-oxazolidin-3-yl]-methylborinic acid
SMILESCB(O)N1[C@@H](C=O)COC1(C)C
InChIInChI=1S/C7H14BNO3/c1-7(2)9(8(3)11)6(4-10)5-12-7/h4,6,11H,5H2,1-3H3/t6-/m0/s1
InChIKeyKWNUQHHOCDDLMV-LURJTMIESA-N
MW171.00 g/mol
LogP-0.27
Rot. Bonds2

About [(4R)-4-formyl-2,2-dimethyl-1,3-oxazolidin-3-yl]-methylborinic acid

[(4R)-4-formyl-2,2-dimethyl-1,3-oxazolidin-3-yl]-methylborinic acid (PubChem CID 58525241) has the molecular formula C7H14BNO3 and a molecular weight of 171.00 g/mol. Its IUPAC name is [(4R)-4-formyl-2,2-dimethyl-1,3-oxazolidin-3-yl]-methylborinic acid.

Molecular Properties

Compound Name[(4R)-4-formyl-2,2-dimethyl-1,3-oxazolidin-3-yl]-methylborinic acid
PubChem CID58525241
Molecular FormulaC7H14BNO3
Molecular Weight171.00 g/mol
Exact Mass171.11
IUPAC Name[(4R)-4-formyl-2,2-dimethyl-1,3-oxazolidin-3-yl]-methylborinic acid
SMILESCB(O)N1[C@@H](C=O)COC1(C)C
InChIInChI=1S/C7H14BNO3/c1-7(2)9(8(3)11)6(4-10)5-12-7/h4,6,11H,5H2,1-3H3/t6-/m0/s1
InChIKeyKWNUQHHOCDDLMV-LURJTMIESA-N
XLogP-0.27
TPSA49.77 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500171.00
LogP ≤ 5-0.27
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aldehyde', 'substructure': 'N/A'}, {'alert_name': 'heavy_metal', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of [(4R)-4-formyl-2,2-dimethyl-1,3-oxazolidin-3-yl]-methylborinic acid?
The IUPAC name of [(4R)-4-formyl-2,2-dimethyl-1,3-oxazolidin-3-yl]-methylborinic acid (CID 58525241) is [(4R)-4-formyl-2,2-dimethyl-1,3-oxazolidin-3-yl]-methylborinic acid.
What is the SMILES notation for [(4R)-4-formyl-2,2-dimethyl-1,3-oxazolidin-3-yl]-methylborinic acid?
The canonical SMILES for [(4R)-4-formyl-2,2-dimethyl-1,3-oxazolidin-3-yl]-methylborinic acid is CB(O)N1[C@@H](C=O)COC1(C)C.
What is the InChIKey of [(4R)-4-formyl-2,2-dimethyl-1,3-oxazolidin-3-yl]-methylborinic acid?
The InChIKey is KWNUQHHOCDDLMV-LURJTMIESA-N. The full InChI is InChI=1S/C7H14BNO3/c1-7(2)9(8(3)11)6(4-10)5-12-7/h4,6,11H,5H2,1-3H3/t6-/m0/s1.
What are the key properties of [(4R)-4-formyl-2,2-dimethyl-1,3-oxazolidin-3-yl]-methylborinic acid?
[(4R)-4-formyl-2,2-dimethyl-1,3-oxazolidin-3-yl]-methylborinic acid has a molecular weight of 171.00 g/mol, XLogP of -0.27, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [(4R)-4-formyl-2,2-dimethyl-1,3-oxazolidin-3-yl]-methylborinic acid is sourced from PubChem (CID 58525241), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).