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

C10H23BN2O3 — CID 53362792

IUPAC[(1R)-1-[[(2S)-2-aminopentanoyl]amino]-3-methylbutyl]boronic acid
SMILESCCC[C@H](N)C(=O)N[C@@H](CC(C)C)B(O)O
InChIInChI=1S/C10H23BN2O3/c1-4-5-8(12)10(14)13-9(11(15)16)6-7(2)3/h7-9,15-16H,4-6,12H2,1-3H3,(H,13,14)/t8-,9-/m0/s1
InChIKeyDWDSWBYEFFOINZ-IUCAKERBSA-N
MW230.12 g/mol
LogP-0.34
Rot. Bonds7

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

[(1R)-1-[[(2S)-2-aminopentanoyl]amino]-3-methylbutyl]boronic acid (PubChem CID 53362792) has the molecular formula C10H23BN2O3 and a molecular weight of 230.12 g/mol. Its IUPAC name is [(1R)-1-[[(2S)-2-aminopentanoyl]amino]-3-methylbutyl]boronic acid.

Molecular Properties

Compound Name[(1R)-1-[[(2S)-2-aminopentanoyl]amino]-3-methylbutyl]boronic acid
PubChem CID53362792
Molecular FormulaC10H23BN2O3
Molecular Weight230.12 g/mol
Exact Mass230.18
IUPAC Name[(1R)-1-[[(2S)-2-aminopentanoyl]amino]-3-methylbutyl]boronic acid
SMILESCCC[C@H](N)C(=O)N[C@@H](CC(C)C)B(O)O
InChIInChI=1S/C10H23BN2O3/c1-4-5-8(12)10(14)13-9(11(15)16)6-7(2)3/h7-9,15-16H,4-6,12H2,1-3H3,(H,13,14)/t8-,9-/m0/s1
InChIKeyDWDSWBYEFFOINZ-IUCAKERBSA-N
XLogP-0.34
TPSA95.58 Ų
H-Bond Donors4
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500230.12
LogP ≤ 5-0.34
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-aminopentanoyl]amino]-3-methylbutyl]boronic acid?
The IUPAC name of [(1R)-1-[[(2S)-2-aminopentanoyl]amino]-3-methylbutyl]boronic acid (CID 53362792) is [(1R)-1-[[(2S)-2-aminopentanoyl]amino]-3-methylbutyl]boronic acid.
What is the SMILES notation for [(1R)-1-[[(2S)-2-aminopentanoyl]amino]-3-methylbutyl]boronic acid?
The canonical SMILES for [(1R)-1-[[(2S)-2-aminopentanoyl]amino]-3-methylbutyl]boronic acid is CCC[C@H](N)C(=O)N[C@@H](CC(C)C)B(O)O.
What is the InChIKey of [(1R)-1-[[(2S)-2-aminopentanoyl]amino]-3-methylbutyl]boronic acid?
The InChIKey is DWDSWBYEFFOINZ-IUCAKERBSA-N. The full InChI is InChI=1S/C10H23BN2O3/c1-4-5-8(12)10(14)13-9(11(15)16)6-7(2)3/h7-9,15-16H,4-6,12H2,1-3H3,(H,13,14)/t8-,9-/m0/s1.
What are the key properties of [(1R)-1-[[(2S)-2-aminopentanoyl]amino]-3-methylbutyl]boronic acid?
[(1R)-1-[[(2S)-2-aminopentanoyl]amino]-3-methylbutyl]boronic acid has a molecular weight of 230.12 g/mol, XLogP of -0.34, 7 rotatable bonds, 4 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [(1R)-1-[[(2S)-2-aminopentanoyl]amino]-3-methylbutyl]boronic acid is sourced from PubChem (CID 53362792), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).