[1-(3-methoxyoxolane-3-carbonyl)pyrrolidin-3-yl]boronic acid

C10H18BNO5 — CID 154767085

IUPAC[1-(3-methoxyoxolane-3-carbonyl)pyrrolidin-3-yl]boronic acid
SMILESCOC1(C(=O)N2CCC(B(O)O)C2)CCOC1
InChIInChI=1S/C10H18BNO5/c1-16-10(3-5-17-7-10)9(13)12-4-2-8(6-12)11(14)15/h8,14-15H,2-7H2,1H3
InChIKeyBIVUXSAWZFCDDV-UHFFFAOYSA-N
MW243.07 g/mol
LogP-1.13
Rot. Bonds3

About [1-(3-methoxyoxolane-3-carbonyl)pyrrolidin-3-yl]boronic acid

[1-(3-methoxyoxolane-3-carbonyl)pyrrolidin-3-yl]boronic acid (PubChem CID 154767085) has the molecular formula C10H18BNO5 and a molecular weight of 243.07 g/mol. Its IUPAC name is [1-(3-methoxyoxolane-3-carbonyl)pyrrolidin-3-yl]boronic acid.

Molecular Properties

Compound Name[1-(3-methoxyoxolane-3-carbonyl)pyrrolidin-3-yl]boronic acid
PubChem CID154767085
Molecular FormulaC10H18BNO5
Molecular Weight243.07 g/mol
Exact Mass243.13
IUPAC Name[1-(3-methoxyoxolane-3-carbonyl)pyrrolidin-3-yl]boronic acid
SMILESCOC1(C(=O)N2CCC(B(O)O)C2)CCOC1
InChIInChI=1S/C10H18BNO5/c1-16-10(3-5-17-7-10)9(13)12-4-2-8(6-12)11(14)15/h8,14-15H,2-7H2,1H3
InChIKeyBIVUXSAWZFCDDV-UHFFFAOYSA-N
XLogP-1.13
TPSA79.23 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500243.07
LogP ≤ 5-1.13
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

Analyze [1-(3-methoxyoxolane-3-carbonyl)pyrrolidin-3-yl]boronic acid with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of [1-(3-methoxyoxolane-3-carbonyl)pyrrolidin-3-yl]boronic acid?
The IUPAC name of [1-(3-methoxyoxolane-3-carbonyl)pyrrolidin-3-yl]boronic acid (CID 154767085) is [1-(3-methoxyoxolane-3-carbonyl)pyrrolidin-3-yl]boronic acid.
What is the SMILES notation for [1-(3-methoxyoxolane-3-carbonyl)pyrrolidin-3-yl]boronic acid?
The canonical SMILES for [1-(3-methoxyoxolane-3-carbonyl)pyrrolidin-3-yl]boronic acid is COC1(C(=O)N2CCC(B(O)O)C2)CCOC1.
What is the InChIKey of [1-(3-methoxyoxolane-3-carbonyl)pyrrolidin-3-yl]boronic acid?
The InChIKey is BIVUXSAWZFCDDV-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H18BNO5/c1-16-10(3-5-17-7-10)9(13)12-4-2-8(6-12)11(14)15/h8,14-15H,2-7H2,1H3.
What are the key properties of [1-(3-methoxyoxolane-3-carbonyl)pyrrolidin-3-yl]boronic acid?
[1-(3-methoxyoxolane-3-carbonyl)pyrrolidin-3-yl]boronic acid has a molecular weight of 243.07 g/mol, XLogP of -1.13, 3 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [1-(3-methoxyoxolane-3-carbonyl)pyrrolidin-3-yl]boronic acid is sourced from PubChem (CID 154767085), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).