[1-[(2S)-2-aminopropanoyl]pyrrolidin-2-yl]boronic acid

C7H15BN2O3 — CID 10176424

IUPAC[1-[(2S)-2-aminopropanoyl]pyrrolidin-2-yl]boronic acid
SMILESC[C@H](N)C(=O)N1CCCC1B(O)O
InChIInChI=1S/C7H15BN2O3/c1-5(9)7(11)10-4-2-3-6(10)8(12)13/h5-6,12-13H,2-4,9H2,1H3/t5-,6?/m0/s1
InChIKeyWDFZXMUIFGGBQF-ZBHICJROSA-N
MW186.02 g/mol
LogP-1.66
Rot. Bonds2

About [1-[(2S)-2-aminopropanoyl]pyrrolidin-2-yl]boronic acid

[1-[(2S)-2-aminopropanoyl]pyrrolidin-2-yl]boronic acid (PubChem CID 10176424) has the molecular formula C7H15BN2O3 and a molecular weight of 186.02 g/mol. Its IUPAC name is [1-[(2S)-2-aminopropanoyl]pyrrolidin-2-yl]boronic acid.

Molecular Properties

Compound Name[1-[(2S)-2-aminopropanoyl]pyrrolidin-2-yl]boronic acid
PubChem CID10176424
Molecular FormulaC7H15BN2O3
Molecular Weight186.02 g/mol
Exact Mass186.12
IUPAC Name[1-[(2S)-2-aminopropanoyl]pyrrolidin-2-yl]boronic acid
SMILESC[C@H](N)C(=O)N1CCCC1B(O)O
InChIInChI=1S/C7H15BN2O3/c1-5(9)7(11)10-4-2-3-6(10)8(12)13/h5-6,12-13H,2-4,9H2,1H3/t5-,6?/m0/s1
InChIKeyWDFZXMUIFGGBQF-ZBHICJROSA-N
XLogP-1.66
TPSA86.79 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500186.02
LogP ≤ 5-1.66
H-Bond Donors ≤ 53
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 [1-[(2S)-2-aminopropanoyl]pyrrolidin-2-yl]boronic acid?
The IUPAC name of [1-[(2S)-2-aminopropanoyl]pyrrolidin-2-yl]boronic acid (CID 10176424) is [1-[(2S)-2-aminopropanoyl]pyrrolidin-2-yl]boronic acid.
What is the SMILES notation for [1-[(2S)-2-aminopropanoyl]pyrrolidin-2-yl]boronic acid?
The canonical SMILES for [1-[(2S)-2-aminopropanoyl]pyrrolidin-2-yl]boronic acid is C[C@H](N)C(=O)N1CCCC1B(O)O.
What is the InChIKey of [1-[(2S)-2-aminopropanoyl]pyrrolidin-2-yl]boronic acid?
The InChIKey is WDFZXMUIFGGBQF-ZBHICJROSA-N. The full InChI is InChI=1S/C7H15BN2O3/c1-5(9)7(11)10-4-2-3-6(10)8(12)13/h5-6,12-13H,2-4,9H2,1H3/t5-,6?/m0/s1.
What are the key properties of [1-[(2S)-2-aminopropanoyl]pyrrolidin-2-yl]boronic acid?
[1-[(2S)-2-aminopropanoyl]pyrrolidin-2-yl]boronic acid has a molecular weight of 186.02 g/mol, XLogP of -1.66, 2 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [1-[(2S)-2-aminopropanoyl]pyrrolidin-2-yl]boronic acid is sourced from PubChem (CID 10176424), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).