[(2S)-1-[(2S)-2-amino-3-methylbutanoyl]pyrrolidin-2-yl]boronic acid

C9H19BN2O3 — CID 10798659

IUPAC[(2S)-1-[(2S)-2-amino-3-methylbutanoyl]pyrrolidin-2-yl]boronic acid
SMILESCC(C)[C@H](N)C(=O)N1CCC[C@@H]1B(O)O
InChIInChI=1S/C9H19BN2O3/c1-6(2)8(11)9(13)12-5-3-4-7(12)10(14)15/h6-8,14-15H,3-5,11H2,1-2H3/t7-,8+/m1/s1
InChIKeyFKCMADOPPWWGNZ-SFYZADRCSA-N
MW214.07 g/mol
LogP-1.03
Rot. Bonds3

About [(2S)-1-[(2S)-2-amino-3-methylbutanoyl]pyrrolidin-2-yl]boronic acid

[(2S)-1-[(2S)-2-amino-3-methylbutanoyl]pyrrolidin-2-yl]boronic acid (PubChem CID 10798659) has the molecular formula C9H19BN2O3 and a molecular weight of 214.07 g/mol. Its IUPAC name is [(2S)-1-[(2S)-2-amino-3-methylbutanoyl]pyrrolidin-2-yl]boronic acid.

Molecular Properties

Compound Name[(2S)-1-[(2S)-2-amino-3-methylbutanoyl]pyrrolidin-2-yl]boronic acid
PubChem CID10798659
Molecular FormulaC9H19BN2O3
Molecular Weight214.07 g/mol
Exact Mass214.15
IUPAC Name[(2S)-1-[(2S)-2-amino-3-methylbutanoyl]pyrrolidin-2-yl]boronic acid
SMILESCC(C)[C@H](N)C(=O)N1CCC[C@@H]1B(O)O
InChIInChI=1S/C9H19BN2O3/c1-6(2)8(11)9(13)12-5-3-4-7(12)10(14)15/h6-8,14-15H,3-5,11H2,1-2H3/t7-,8+/m1/s1
InChIKeyFKCMADOPPWWGNZ-SFYZADRCSA-N
XLogP-1.03
TPSA86.79 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500214.07
LogP ≤ 5-1.03
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'heavy_metal', 'substructure': 'N/A'}

Analyze [(2S)-1-[(2S)-2-amino-3-methylbutanoyl]pyrrolidin-2-yl]boronic acid with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of [(2S)-1-[(2S)-2-amino-3-methylbutanoyl]pyrrolidin-2-yl]boronic acid?
The IUPAC name of [(2S)-1-[(2S)-2-amino-3-methylbutanoyl]pyrrolidin-2-yl]boronic acid (CID 10798659) is [(2S)-1-[(2S)-2-amino-3-methylbutanoyl]pyrrolidin-2-yl]boronic acid.
What is the SMILES notation for [(2S)-1-[(2S)-2-amino-3-methylbutanoyl]pyrrolidin-2-yl]boronic acid?
The canonical SMILES for [(2S)-1-[(2S)-2-amino-3-methylbutanoyl]pyrrolidin-2-yl]boronic acid is CC(C)[C@H](N)C(=O)N1CCC[C@@H]1B(O)O.
What is the InChIKey of [(2S)-1-[(2S)-2-amino-3-methylbutanoyl]pyrrolidin-2-yl]boronic acid?
The InChIKey is FKCMADOPPWWGNZ-SFYZADRCSA-N. The full InChI is InChI=1S/C9H19BN2O3/c1-6(2)8(11)9(13)12-5-3-4-7(12)10(14)15/h6-8,14-15H,3-5,11H2,1-2H3/t7-,8+/m1/s1.
What are the key properties of [(2S)-1-[(2S)-2-amino-3-methylbutanoyl]pyrrolidin-2-yl]boronic acid?
[(2S)-1-[(2S)-2-amino-3-methylbutanoyl]pyrrolidin-2-yl]boronic acid has a molecular weight of 214.07 g/mol, XLogP of -1.03, 3 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [(2S)-1-[(2S)-2-amino-3-methylbutanoyl]pyrrolidin-2-yl]boronic acid is sourced from PubChem (CID 10798659), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).