[(1R)-2-(2-amino-3-methylbutanoyl)cyclopentyl]boronic acid

C10H20BNO3 — CID 174247322

IUPAC[(1R)-2-(2-amino-3-methylbutanoyl)cyclopentyl]boronic acid
SMILESCC(C)C(N)C(=O)C1CCC[C@H]1B(O)O
InChIInChI=1S/C10H20BNO3/c1-6(2)9(12)10(13)7-4-3-5-8(7)11(14)15/h6-9,14-15H,3-5,12H2,1-2H3/t7?,8-,9?/m1/s1
InChIKeyCXDSYZLZPXATBE-QJAFJHJLSA-N
MW213.09 g/mol
LogP0.18
Rot. Bonds4

About [(1R)-2-(2-amino-3-methylbutanoyl)cyclopentyl]boronic acid

[(1R)-2-(2-amino-3-methylbutanoyl)cyclopentyl]boronic acid (PubChem CID 174247322) has the molecular formula C10H20BNO3 and a molecular weight of 213.09 g/mol. Its IUPAC name is [(1R)-2-(2-amino-3-methylbutanoyl)cyclopentyl]boronic acid.

Molecular Properties

Compound Name[(1R)-2-(2-amino-3-methylbutanoyl)cyclopentyl]boronic acid
PubChem CID174247322
Molecular FormulaC10H20BNO3
Molecular Weight213.09 g/mol
Exact Mass213.15
IUPAC Name[(1R)-2-(2-amino-3-methylbutanoyl)cyclopentyl]boronic acid
SMILESCC(C)C(N)C(=O)C1CCC[C@H]1B(O)O
InChIInChI=1S/C10H20BNO3/c1-6(2)9(12)10(13)7-4-3-5-8(7)11(14)15/h6-9,14-15H,3-5,12H2,1-2H3/t7?,8-,9?/m1/s1
InChIKeyCXDSYZLZPXATBE-QJAFJHJLSA-N
XLogP0.18
TPSA83.55 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500213.09
LogP ≤ 50.18
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 [(1R)-2-(2-amino-3-methylbutanoyl)cyclopentyl]boronic acid?
The IUPAC name of [(1R)-2-(2-amino-3-methylbutanoyl)cyclopentyl]boronic acid (CID 174247322) is [(1R)-2-(2-amino-3-methylbutanoyl)cyclopentyl]boronic acid.
What is the SMILES notation for [(1R)-2-(2-amino-3-methylbutanoyl)cyclopentyl]boronic acid?
The canonical SMILES for [(1R)-2-(2-amino-3-methylbutanoyl)cyclopentyl]boronic acid is CC(C)C(N)C(=O)C1CCC[C@H]1B(O)O.
What is the InChIKey of [(1R)-2-(2-amino-3-methylbutanoyl)cyclopentyl]boronic acid?
The InChIKey is CXDSYZLZPXATBE-QJAFJHJLSA-N. The full InChI is InChI=1S/C10H20BNO3/c1-6(2)9(12)10(13)7-4-3-5-8(7)11(14)15/h6-9,14-15H,3-5,12H2,1-2H3/t7?,8-,9?/m1/s1.
What are the key properties of [(1R)-2-(2-amino-3-methylbutanoyl)cyclopentyl]boronic acid?
[(1R)-2-(2-amino-3-methylbutanoyl)cyclopentyl]boronic acid has a molecular weight of 213.09 g/mol, XLogP of 0.18, 4 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [(1R)-2-(2-amino-3-methylbutanoyl)cyclopentyl]boronic acid is sourced from PubChem (CID 174247322), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).