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

C11H25BN2O3 — CID 53362789

IUPAC[(1R)-1-[[(2S)-2-amino-3,3-dimethylbutanoyl]amino]-3-methylbutyl]boronic acid
SMILESCC(C)C[C@H](NC(=O)[C@@H](N)C(C)(C)C)B(O)O
InChIInChI=1S/C11H25BN2O3/c1-7(2)6-8(12(16)17)14-10(15)9(13)11(3,4)5/h7-9,16-17H,6,13H2,1-5H3,(H,14,15)/t8-,9+/m0/s1
InChIKeyASNSCWBTALGNHQ-DTWKUNHWSA-N
MW244.14 g/mol
LogP-0.10
Rot. Bonds5

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

[(1R)-1-[[(2S)-2-amino-3,3-dimethylbutanoyl]amino]-3-methylbutyl]boronic acid (PubChem CID 53362789) has the molecular formula C11H25BN2O3 and a molecular weight of 244.14 g/mol. Its IUPAC name is [(1R)-1-[[(2S)-2-amino-3,3-dimethylbutanoyl]amino]-3-methylbutyl]boronic acid.

Molecular Properties

Compound Name[(1R)-1-[[(2S)-2-amino-3,3-dimethylbutanoyl]amino]-3-methylbutyl]boronic acid
PubChem CID53362789
Molecular FormulaC11H25BN2O3
Molecular Weight244.14 g/mol
Exact Mass244.20
IUPAC Name[(1R)-1-[[(2S)-2-amino-3,3-dimethylbutanoyl]amino]-3-methylbutyl]boronic acid
SMILESCC(C)C[C@H](NC(=O)[C@@H](N)C(C)(C)C)B(O)O
InChIInChI=1S/C11H25BN2O3/c1-7(2)6-8(12(16)17)14-10(15)9(13)11(3,4)5/h7-9,16-17H,6,13H2,1-5H3,(H,14,15)/t8-,9+/m0/s1
InChIKeyASNSCWBTALGNHQ-DTWKUNHWSA-N
XLogP-0.10
TPSA95.58 Ų
H-Bond Donors4
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500244.14
LogP ≤ 5-0.10
H-Bond Donors ≤ 54
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)-1-[[(2S)-2-amino-3,3-dimethylbutanoyl]amino]-3-methylbutyl]boronic acid?
The IUPAC name of [(1R)-1-[[(2S)-2-amino-3,3-dimethylbutanoyl]amino]-3-methylbutyl]boronic acid (CID 53362789) is [(1R)-1-[[(2S)-2-amino-3,3-dimethylbutanoyl]amino]-3-methylbutyl]boronic acid.
What is the SMILES notation for [(1R)-1-[[(2S)-2-amino-3,3-dimethylbutanoyl]amino]-3-methylbutyl]boronic acid?
The canonical SMILES for [(1R)-1-[[(2S)-2-amino-3,3-dimethylbutanoyl]amino]-3-methylbutyl]boronic acid is CC(C)C[C@H](NC(=O)[C@@H](N)C(C)(C)C)B(O)O.
What is the InChIKey of [(1R)-1-[[(2S)-2-amino-3,3-dimethylbutanoyl]amino]-3-methylbutyl]boronic acid?
The InChIKey is ASNSCWBTALGNHQ-DTWKUNHWSA-N. The full InChI is InChI=1S/C11H25BN2O3/c1-7(2)6-8(12(16)17)14-10(15)9(13)11(3,4)5/h7-9,16-17H,6,13H2,1-5H3,(H,14,15)/t8-,9+/m0/s1.
What are the key properties of [(1R)-1-[[(2S)-2-amino-3,3-dimethylbutanoyl]amino]-3-methylbutyl]boronic acid?
[(1R)-1-[[(2S)-2-amino-3,3-dimethylbutanoyl]amino]-3-methylbutyl]boronic acid has a molecular weight of 244.14 g/mol, XLogP of -0.10, 5 rotatable bonds, 4 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [(1R)-1-[[(2S)-2-amino-3,3-dimethylbutanoyl]amino]-3-methylbutyl]boronic acid is sourced from PubChem (CID 53362789), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).