[(2R)-1-(2-amino-2-methylpropanoyl)pyrrolidin-2-yl]boronic acid

C8H17BN2O3 — CID 10750510

IUPAC[(2R)-1-(2-amino-2-methylpropanoyl)pyrrolidin-2-yl]boronic acid
SMILESCC(C)(N)C(=O)N1CCC[C@H]1B(O)O
InChIInChI=1S/C8H17BN2O3/c1-8(2,10)7(12)11-5-3-4-6(11)9(13)14/h6,13-14H,3-5,10H2,1-2H3/t6-/m0/s1
InChIKeySKVVAFLAWUTJCJ-LURJTMIESA-N
MW200.05 g/mol
LogP-1.27
Rot. Bonds2

About [(2R)-1-(2-amino-2-methylpropanoyl)pyrrolidin-2-yl]boronic acid

[(2R)-1-(2-amino-2-methylpropanoyl)pyrrolidin-2-yl]boronic acid (PubChem CID 10750510) has the molecular formula C8H17BN2O3 and a molecular weight of 200.05 g/mol. Its IUPAC name is [(2R)-1-(2-amino-2-methylpropanoyl)pyrrolidin-2-yl]boronic acid.

Molecular Properties

Compound Name[(2R)-1-(2-amino-2-methylpropanoyl)pyrrolidin-2-yl]boronic acid
PubChem CID10750510
Molecular FormulaC8H17BN2O3
Molecular Weight200.05 g/mol
Exact Mass200.13
IUPAC Name[(2R)-1-(2-amino-2-methylpropanoyl)pyrrolidin-2-yl]boronic acid
SMILESCC(C)(N)C(=O)N1CCC[C@H]1B(O)O
InChIInChI=1S/C8H17BN2O3/c1-8(2,10)7(12)11-5-3-4-6(11)9(13)14/h6,13-14H,3-5,10H2,1-2H3/t6-/m0/s1
InChIKeySKVVAFLAWUTJCJ-LURJTMIESA-N
XLogP-1.27
TPSA86.79 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500200.05
LogP ≤ 5-1.27
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-amino-2-methylpropanoyl)pyrrolidin-2-yl]boronic acid?
The IUPAC name of [(2R)-1-(2-amino-2-methylpropanoyl)pyrrolidin-2-yl]boronic acid (CID 10750510) is [(2R)-1-(2-amino-2-methylpropanoyl)pyrrolidin-2-yl]boronic acid.
What is the SMILES notation for [(2R)-1-(2-amino-2-methylpropanoyl)pyrrolidin-2-yl]boronic acid?
The canonical SMILES for [(2R)-1-(2-amino-2-methylpropanoyl)pyrrolidin-2-yl]boronic acid is CC(C)(N)C(=O)N1CCC[C@H]1B(O)O.
What is the InChIKey of [(2R)-1-(2-amino-2-methylpropanoyl)pyrrolidin-2-yl]boronic acid?
The InChIKey is SKVVAFLAWUTJCJ-LURJTMIESA-N. The full InChI is InChI=1S/C8H17BN2O3/c1-8(2,10)7(12)11-5-3-4-6(11)9(13)14/h6,13-14H,3-5,10H2,1-2H3/t6-/m0/s1.
What are the key properties of [(2R)-1-(2-amino-2-methylpropanoyl)pyrrolidin-2-yl]boronic acid?
[(2R)-1-(2-amino-2-methylpropanoyl)pyrrolidin-2-yl]boronic acid has a molecular weight of 200.05 g/mol, XLogP of -1.27, 2 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [(2R)-1-(2-amino-2-methylpropanoyl)pyrrolidin-2-yl]boronic acid is sourced from PubChem (CID 10750510), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).