[(2R)-1-[(2S)-2-amino-3,3-dimethylbutanoyl]pyrrolidin-2-yl]boronic acid

C10H21BN2O3 — CID 10704521

IUPAC[(2R)-1-[(2S)-2-amino-3,3-dimethylbutanoyl]pyrrolidin-2-yl]boronic acid
SMILESCC(C)(C)[C@H](N)C(=O)N1CCC[C@H]1B(O)O
InChIInChI=1S/C10H21BN2O3/c1-10(2,3)8(12)9(14)13-6-4-5-7(13)11(15)16/h7-8,15-16H,4-6,12H2,1-3H3/t7-,8+/m0/s1
InChIKeyYLQGXGBOYJWXBT-JGVFFNPUSA-N
MW228.10 g/mol
LogP-0.64
Rot. Bonds2

About [(2R)-1-[(2S)-2-amino-3,3-dimethylbutanoyl]pyrrolidin-2-yl]boronic acid

[(2R)-1-[(2S)-2-amino-3,3-dimethylbutanoyl]pyrrolidin-2-yl]boronic acid (PubChem CID 10704521) has the molecular formula C10H21BN2O3 and a molecular weight of 228.10 g/mol. Its IUPAC name is [(2R)-1-[(2S)-2-amino-3,3-dimethylbutanoyl]pyrrolidin-2-yl]boronic acid.

Molecular Properties

Compound Name[(2R)-1-[(2S)-2-amino-3,3-dimethylbutanoyl]pyrrolidin-2-yl]boronic acid
PubChem CID10704521
Molecular FormulaC10H21BN2O3
Molecular Weight228.10 g/mol
Exact Mass228.16
IUPAC Name[(2R)-1-[(2S)-2-amino-3,3-dimethylbutanoyl]pyrrolidin-2-yl]boronic acid
SMILESCC(C)(C)[C@H](N)C(=O)N1CCC[C@H]1B(O)O
InChIInChI=1S/C10H21BN2O3/c1-10(2,3)8(12)9(14)13-6-4-5-7(13)11(15)16/h7-8,15-16H,4-6,12H2,1-3H3/t7-,8+/m0/s1
InChIKeyYLQGXGBOYJWXBT-JGVFFNPUSA-N
XLogP-0.64
TPSA86.79 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500228.10
LogP ≤ 5-0.64
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)-2-amino-3,3-dimethylbutanoyl]pyrrolidin-2-yl]boronic acid?
The IUPAC name of [(2R)-1-[(2S)-2-amino-3,3-dimethylbutanoyl]pyrrolidin-2-yl]boronic acid (CID 10704521) is [(2R)-1-[(2S)-2-amino-3,3-dimethylbutanoyl]pyrrolidin-2-yl]boronic acid.
What is the SMILES notation for [(2R)-1-[(2S)-2-amino-3,3-dimethylbutanoyl]pyrrolidin-2-yl]boronic acid?
The canonical SMILES for [(2R)-1-[(2S)-2-amino-3,3-dimethylbutanoyl]pyrrolidin-2-yl]boronic acid is CC(C)(C)[C@H](N)C(=O)N1CCC[C@H]1B(O)O.
What is the InChIKey of [(2R)-1-[(2S)-2-amino-3,3-dimethylbutanoyl]pyrrolidin-2-yl]boronic acid?
The InChIKey is YLQGXGBOYJWXBT-JGVFFNPUSA-N. The full InChI is InChI=1S/C10H21BN2O3/c1-10(2,3)8(12)9(14)13-6-4-5-7(13)11(15)16/h7-8,15-16H,4-6,12H2,1-3H3/t7-,8+/m0/s1.
What are the key properties of [(2R)-1-[(2S)-2-amino-3,3-dimethylbutanoyl]pyrrolidin-2-yl]boronic acid?
[(2R)-1-[(2S)-2-amino-3,3-dimethylbutanoyl]pyrrolidin-2-yl]boronic acid has a molecular weight of 228.10 g/mol, XLogP of -0.64, 2 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [(2R)-1-[(2S)-2-amino-3,3-dimethylbutanoyl]pyrrolidin-2-yl]boronic acid is sourced from PubChem (CID 10704521), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).