[(2R)-1-[(2S)-pyrrolidine-2-carbonyl]pyrrolidin-2-yl]boronic acid

C9H17BN2O3 — CID 10198228

IUPAC[(2R)-1-[(2S)-pyrrolidine-2-carbonyl]pyrrolidin-2-yl]boronic acid
SMILESO=C([C@@H]1CCCN1)N1CCC[C@H]1B(O)O
InChIInChI=1S/C9H17BN2O3/c13-9(7-3-1-5-11-7)12-6-2-4-8(12)10(14)15/h7-8,11,14-15H,1-6H2/t7-,8-/m0/s1
InChIKeyXSBZZZGVAIXJLD-YUMQZZPRSA-N
MW212.06 g/mol
LogP-1.26
Rot. Bonds2

About [(2R)-1-[(2S)-pyrrolidine-2-carbonyl]pyrrolidin-2-yl]boronic acid

[(2R)-1-[(2S)-pyrrolidine-2-carbonyl]pyrrolidin-2-yl]boronic acid (PubChem CID 10198228) has the molecular formula C9H17BN2O3 and a molecular weight of 212.06 g/mol. Its IUPAC name is [(2R)-1-[(2S)-pyrrolidine-2-carbonyl]pyrrolidin-2-yl]boronic acid.

Molecular Properties

Compound Name[(2R)-1-[(2S)-pyrrolidine-2-carbonyl]pyrrolidin-2-yl]boronic acid
PubChem CID10198228
Molecular FormulaC9H17BN2O3
Molecular Weight212.06 g/mol
Exact Mass212.13
IUPAC Name[(2R)-1-[(2S)-pyrrolidine-2-carbonyl]pyrrolidin-2-yl]boronic acid
SMILESO=C([C@@H]1CCCN1)N1CCC[C@H]1B(O)O
InChIInChI=1S/C9H17BN2O3/c13-9(7-3-1-5-11-7)12-6-2-4-8(12)10(14)15/h7-8,11,14-15H,1-6H2/t7-,8-/m0/s1
InChIKeyXSBZZZGVAIXJLD-YUMQZZPRSA-N
XLogP-1.26
TPSA72.80 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500212.06
LogP ≤ 5-1.26
H-Bond Donors ≤ 53
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 [(2R)-1-[(2S)-pyrrolidine-2-carbonyl]pyrrolidin-2-yl]boronic acid?
The IUPAC name of [(2R)-1-[(2S)-pyrrolidine-2-carbonyl]pyrrolidin-2-yl]boronic acid (CID 10198228) is [(2R)-1-[(2S)-pyrrolidine-2-carbonyl]pyrrolidin-2-yl]boronic acid.
What is the SMILES notation for [(2R)-1-[(2S)-pyrrolidine-2-carbonyl]pyrrolidin-2-yl]boronic acid?
The canonical SMILES for [(2R)-1-[(2S)-pyrrolidine-2-carbonyl]pyrrolidin-2-yl]boronic acid is O=C([C@@H]1CCCN1)N1CCC[C@H]1B(O)O.
What is the InChIKey of [(2R)-1-[(2S)-pyrrolidine-2-carbonyl]pyrrolidin-2-yl]boronic acid?
The InChIKey is XSBZZZGVAIXJLD-YUMQZZPRSA-N. The full InChI is InChI=1S/C9H17BN2O3/c13-9(7-3-1-5-11-7)12-6-2-4-8(12)10(14)15/h7-8,11,14-15H,1-6H2/t7-,8-/m0/s1.
What are the key properties of [(2R)-1-[(2S)-pyrrolidine-2-carbonyl]pyrrolidin-2-yl]boronic acid?
[(2R)-1-[(2S)-pyrrolidine-2-carbonyl]pyrrolidin-2-yl]boronic acid has a molecular weight of 212.06 g/mol, XLogP of -1.26, 2 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [(2R)-1-[(2S)-pyrrolidine-2-carbonyl]pyrrolidin-2-yl]boronic acid is sourced from PubChem (CID 10198228), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).