[(1R)-1-[[(2S)-2,5-diamino-5-oxopentanoyl]amino]ethyl]boronic acid

C7H16BN3O4 — CID 25132161

IUPAC[(1R)-1-[[(2S)-2,5-diamino-5-oxopentanoyl]amino]ethyl]boronic acid
SMILESC[C@H](NC(=O)[C@@H](N)CCC(N)=O)B(O)O
InChIInChI=1S/C7H16BN3O4/c1-4(8(14)15)11-7(13)5(9)2-3-6(10)12/h4-5,14-15H,2-3,9H2,1H3,(H2,10,12)(H,11,13)/t4-,5-/m0/s1
InChIKeyRYWOUVPMSNURME-WHFBIAKZSA-N
MW217.03 g/mol
LogP-2.90
Rot. Bonds6

About [(1R)-1-[[(2S)-2,5-diamino-5-oxopentanoyl]amino]ethyl]boronic acid

[(1R)-1-[[(2S)-2,5-diamino-5-oxopentanoyl]amino]ethyl]boronic acid (PubChem CID 25132161) has the molecular formula C7H16BN3O4 and a molecular weight of 217.03 g/mol. Its IUPAC name is [(1R)-1-[[(2S)-2,5-diamino-5-oxopentanoyl]amino]ethyl]boronic acid.

Molecular Properties

Compound Name[(1R)-1-[[(2S)-2,5-diamino-5-oxopentanoyl]amino]ethyl]boronic acid
PubChem CID25132161
Molecular FormulaC7H16BN3O4
Molecular Weight217.03 g/mol
Exact Mass217.12
IUPAC Name[(1R)-1-[[(2S)-2,5-diamino-5-oxopentanoyl]amino]ethyl]boronic acid
SMILESC[C@H](NC(=O)[C@@H](N)CCC(N)=O)B(O)O
InChIInChI=1S/C7H16BN3O4/c1-4(8(14)15)11-7(13)5(9)2-3-6(10)12/h4-5,14-15H,2-3,9H2,1H3,(H2,10,12)(H,11,13)/t4-,5-/m0/s1
InChIKeyRYWOUVPMSNURME-WHFBIAKZSA-N
XLogP-2.90
TPSA138.67 Ų
H-Bond Donors5
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500217.03
LogP ≤ 5-2.90
H-Bond Donors ≤ 55
H-Bond Acceptors ≤ 105

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)-2,5-diamino-5-oxopentanoyl]amino]ethyl]boronic acid?
The IUPAC name of [(1R)-1-[[(2S)-2,5-diamino-5-oxopentanoyl]amino]ethyl]boronic acid (CID 25132161) is [(1R)-1-[[(2S)-2,5-diamino-5-oxopentanoyl]amino]ethyl]boronic acid.
What is the SMILES notation for [(1R)-1-[[(2S)-2,5-diamino-5-oxopentanoyl]amino]ethyl]boronic acid?
The canonical SMILES for [(1R)-1-[[(2S)-2,5-diamino-5-oxopentanoyl]amino]ethyl]boronic acid is C[C@H](NC(=O)[C@@H](N)CCC(N)=O)B(O)O.
What is the InChIKey of [(1R)-1-[[(2S)-2,5-diamino-5-oxopentanoyl]amino]ethyl]boronic acid?
The InChIKey is RYWOUVPMSNURME-WHFBIAKZSA-N. The full InChI is InChI=1S/C7H16BN3O4/c1-4(8(14)15)11-7(13)5(9)2-3-6(10)12/h4-5,14-15H,2-3,9H2,1H3,(H2,10,12)(H,11,13)/t4-,5-/m0/s1.
What are the key properties of [(1R)-1-[[(2S)-2,5-diamino-5-oxopentanoyl]amino]ethyl]boronic acid?
[(1R)-1-[[(2S)-2,5-diamino-5-oxopentanoyl]amino]ethyl]boronic acid has a molecular weight of 217.03 g/mol, XLogP of -2.90, 6 rotatable bonds, 5 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [(1R)-1-[[(2S)-2,5-diamino-5-oxopentanoyl]amino]ethyl]boronic acid is sourced from PubChem (CID 25132161), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).