[(1R)-1-[[(2S)-2-aminopropanoyl]amino]ethyl]boronic acid

C5H13BN2O3 — CID 74765703

IUPAC[(1R)-1-[[(2S)-2-aminopropanoyl]amino]ethyl]boronic acid
SMILESC[C@H](NC(=O)[C@H](C)N)B(O)O
InChIInChI=1S/C5H13BN2O3/c1-3(7)5(9)8-4(2)6(10)11/h3-4,10-11H,7H2,1-2H3,(H,8,9)/t3-,4-/m0/s1
InChIKeyCHOIZHQITXLUNX-IMJSIDKUSA-N
MW159.98 g/mol
LogP-2.15
Rot. Bonds3

About [(1R)-1-[[(2S)-2-aminopropanoyl]amino]ethyl]boronic acid

[(1R)-1-[[(2S)-2-aminopropanoyl]amino]ethyl]boronic acid (PubChem CID 74765703) has the molecular formula C5H13BN2O3 and a molecular weight of 159.98 g/mol. Its IUPAC name is [(1R)-1-[[(2S)-2-aminopropanoyl]amino]ethyl]boronic acid.

Molecular Properties

Compound Name[(1R)-1-[[(2S)-2-aminopropanoyl]amino]ethyl]boronic acid
PubChem CID74765703
Molecular FormulaC5H13BN2O3
Molecular Weight159.98 g/mol
Exact Mass160.10
IUPAC Name[(1R)-1-[[(2S)-2-aminopropanoyl]amino]ethyl]boronic acid
SMILESC[C@H](NC(=O)[C@H](C)N)B(O)O
InChIInChI=1S/C5H13BN2O3/c1-3(7)5(9)8-4(2)6(10)11/h3-4,10-11H,7H2,1-2H3,(H,8,9)/t3-,4-/m0/s1
InChIKeyCHOIZHQITXLUNX-IMJSIDKUSA-N
XLogP-2.15
TPSA95.58 Ų
H-Bond Donors4
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500159.98
LogP ≤ 5-2.15
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-aminopropanoyl]amino]ethyl]boronic acid?
The IUPAC name of [(1R)-1-[[(2S)-2-aminopropanoyl]amino]ethyl]boronic acid (CID 74765703) is [(1R)-1-[[(2S)-2-aminopropanoyl]amino]ethyl]boronic acid.
What is the SMILES notation for [(1R)-1-[[(2S)-2-aminopropanoyl]amino]ethyl]boronic acid?
The canonical SMILES for [(1R)-1-[[(2S)-2-aminopropanoyl]amino]ethyl]boronic acid is C[C@H](NC(=O)[C@H](C)N)B(O)O.
What is the InChIKey of [(1R)-1-[[(2S)-2-aminopropanoyl]amino]ethyl]boronic acid?
The InChIKey is CHOIZHQITXLUNX-IMJSIDKUSA-N. The full InChI is InChI=1S/C5H13BN2O3/c1-3(7)5(9)8-4(2)6(10)11/h3-4,10-11H,7H2,1-2H3,(H,8,9)/t3-,4-/m0/s1.
What are the key properties of [(1R)-1-[[(2S)-2-aminopropanoyl]amino]ethyl]boronic acid?
[(1R)-1-[[(2S)-2-aminopropanoyl]amino]ethyl]boronic acid has a molecular weight of 159.98 g/mol, XLogP of -2.15, 3 rotatable bonds, 4 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [(1R)-1-[[(2S)-2-aminopropanoyl]amino]ethyl]boronic acid is sourced from PubChem (CID 74765703), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).