[(2R)-1-[2-(methylamino)acetyl]pyrrolidin-2-yl]boronic acid

C7H15BN2O3 — CID 59210959

IUPAC[(2R)-1-[2-(methylamino)acetyl]pyrrolidin-2-yl]boronic acid
SMILESCNCC(=O)N1CCC[C@H]1B(O)O
InChIInChI=1S/C7H15BN2O3/c1-9-5-7(11)10-4-2-3-6(10)8(12)13/h6,9,12-13H,2-5H2,1H3/t6-/m0/s1
InChIKeyHSFFCWPJIKXPNU-LURJTMIESA-N
MW186.02 g/mol
LogP-1.79
Rot. Bonds3

About [(2R)-1-[2-(methylamino)acetyl]pyrrolidin-2-yl]boronic acid

[(2R)-1-[2-(methylamino)acetyl]pyrrolidin-2-yl]boronic acid (PubChem CID 59210959) has the molecular formula C7H15BN2O3 and a molecular weight of 186.02 g/mol. Its IUPAC name is [(2R)-1-[2-(methylamino)acetyl]pyrrolidin-2-yl]boronic acid.

Molecular Properties

Compound Name[(2R)-1-[2-(methylamino)acetyl]pyrrolidin-2-yl]boronic acid
PubChem CID59210959
Molecular FormulaC7H15BN2O3
Molecular Weight186.02 g/mol
Exact Mass186.12
IUPAC Name[(2R)-1-[2-(methylamino)acetyl]pyrrolidin-2-yl]boronic acid
SMILESCNCC(=O)N1CCC[C@H]1B(O)O
InChIInChI=1S/C7H15BN2O3/c1-9-5-7(11)10-4-2-3-6(10)8(12)13/h6,9,12-13H,2-5H2,1H3/t6-/m0/s1
InChIKeyHSFFCWPJIKXPNU-LURJTMIESA-N
XLogP-1.79
TPSA72.80 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500186.02
LogP ≤ 5-1.79
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-[2-(methylamino)acetyl]pyrrolidin-2-yl]boronic acid?
The IUPAC name of [(2R)-1-[2-(methylamino)acetyl]pyrrolidin-2-yl]boronic acid (CID 59210959) is [(2R)-1-[2-(methylamino)acetyl]pyrrolidin-2-yl]boronic acid.
What is the SMILES notation for [(2R)-1-[2-(methylamino)acetyl]pyrrolidin-2-yl]boronic acid?
The canonical SMILES for [(2R)-1-[2-(methylamino)acetyl]pyrrolidin-2-yl]boronic acid is CNCC(=O)N1CCC[C@H]1B(O)O.
What is the InChIKey of [(2R)-1-[2-(methylamino)acetyl]pyrrolidin-2-yl]boronic acid?
The InChIKey is HSFFCWPJIKXPNU-LURJTMIESA-N. The full InChI is InChI=1S/C7H15BN2O3/c1-9-5-7(11)10-4-2-3-6(10)8(12)13/h6,9,12-13H,2-5H2,1H3/t6-/m0/s1.
What are the key properties of [(2R)-1-[2-(methylamino)acetyl]pyrrolidin-2-yl]boronic acid?
[(2R)-1-[2-(methylamino)acetyl]pyrrolidin-2-yl]boronic acid has a molecular weight of 186.02 g/mol, XLogP of -1.79, 3 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [(2R)-1-[2-(methylamino)acetyl]pyrrolidin-2-yl]boronic acid is sourced from PubChem (CID 59210959), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).