[(2R)-1-[(2S,3R)-2-amino-3-hydroxybutanoyl]pyrrolidin-2-yl]boronic acid

C8H17BN2O4 — CID 56665883

IUPAC[(2R)-1-[(2S,3R)-2-amino-3-hydroxybutanoyl]pyrrolidin-2-yl]boronic acid
SMILESC[C@@H](O)[C@H](N)C(=O)N1CCC[C@H]1B(O)O
InChIInChI=1S/C8H17BN2O4/c1-5(12)7(10)8(13)11-4-2-3-6(11)9(14)15/h5-7,12,14-15H,2-4,10H2,1H3/t5-,6+,7+/m1/s1
InChIKeySXTVBRRFCBSWSJ-VQVTYTSYSA-N
MW216.05 g/mol
LogP-2.30
Rot. Bonds3

About [(2R)-1-[(2S,3R)-2-amino-3-hydroxybutanoyl]pyrrolidin-2-yl]boronic acid

[(2R)-1-[(2S,3R)-2-amino-3-hydroxybutanoyl]pyrrolidin-2-yl]boronic acid (PubChem CID 56665883) has the molecular formula C8H17BN2O4 and a molecular weight of 216.05 g/mol. Its IUPAC name is [(2R)-1-[(2S,3R)-2-amino-3-hydroxybutanoyl]pyrrolidin-2-yl]boronic acid.

Molecular Properties

Compound Name[(2R)-1-[(2S,3R)-2-amino-3-hydroxybutanoyl]pyrrolidin-2-yl]boronic acid
PubChem CID56665883
Molecular FormulaC8H17BN2O4
Molecular Weight216.05 g/mol
Exact Mass216.13
IUPAC Name[(2R)-1-[(2S,3R)-2-amino-3-hydroxybutanoyl]pyrrolidin-2-yl]boronic acid
SMILESC[C@@H](O)[C@H](N)C(=O)N1CCC[C@H]1B(O)O
InChIInChI=1S/C8H17BN2O4/c1-5(12)7(10)8(13)11-4-2-3-6(11)9(14)15/h5-7,12,14-15H,2-4,10H2,1H3/t5-,6+,7+/m1/s1
InChIKeySXTVBRRFCBSWSJ-VQVTYTSYSA-N
XLogP-2.30
TPSA107.02 Ų
H-Bond Donors4
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500216.05
LogP ≤ 5-2.30
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'heavy_metal', 'substructure': 'N/A'}

Analyze [(2R)-1-[(2S,3R)-2-amino-3-hydroxybutanoyl]pyrrolidin-2-yl]boronic acid with MolForge

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Related Compounds

Thr-boroLeu
CID 53362664
[(2R,4S)-1-[(2S)-2-aminopropanoyl]-4-hydroxypyrrolidin-2-yl]boronic acid
CID 60032916
[(2R,4R)-1-[(2S)-2-aminopropanoyl]-4-hydroxypyrrolidin-2-yl]boronic acid
CID 70330884
[(2R,4S)-1-[(2S)-2-amino-3,3-dimethylbutanoyl]-4-hydroxypyrrolidin-2-yl]boronic acid
CID 70684351
[(2R,4R)-1-[(2S)-2-amino-3,3-dimethylbutanoyl]-4-hydroxypyrrolidin-2-yl]boronic acid
CID 70690674
(2S,3R)-2-amino-3-hydroxy-1-(pyrrolidin-1-yl)butan-1-one
CID 44560823
2-(4-Hydroxy-2-oxopyrrolidin-1-yl)butanamide
CID 44367442
2-Amino-3-hydroxy-1-pyrrolidin-1-ylbutan-1-one
CID 21252067
3-Hydroxy-2-methylamino-1-pyrrolidin-1-yl-butan-1-one
CID 118719173
US11096924, DASH-inhibitors 4312 S
CID 148133778
US11096924, DASH-inhibitors 4312
CID 153313555
Ser-boroPro
CID 74765690

Frequently Asked Questions

What is the IUPAC name of [(2R)-1-[(2S,3R)-2-amino-3-hydroxybutanoyl]pyrrolidin-2-yl]boronic acid?
The IUPAC name of [(2R)-1-[(2S,3R)-2-amino-3-hydroxybutanoyl]pyrrolidin-2-yl]boronic acid (CID 56665883) is [(2R)-1-[(2S,3R)-2-amino-3-hydroxybutanoyl]pyrrolidin-2-yl]boronic acid.
What is the SMILES notation for [(2R)-1-[(2S,3R)-2-amino-3-hydroxybutanoyl]pyrrolidin-2-yl]boronic acid?
The canonical SMILES for [(2R)-1-[(2S,3R)-2-amino-3-hydroxybutanoyl]pyrrolidin-2-yl]boronic acid is C[C@@H](O)[C@H](N)C(=O)N1CCC[C@H]1B(O)O.
What is the InChIKey of [(2R)-1-[(2S,3R)-2-amino-3-hydroxybutanoyl]pyrrolidin-2-yl]boronic acid?
The InChIKey is SXTVBRRFCBSWSJ-VQVTYTSYSA-N. The full InChI is InChI=1S/C8H17BN2O4/c1-5(12)7(10)8(13)11-4-2-3-6(11)9(14)15/h5-7,12,14-15H,2-4,10H2,1H3/t5-,6+,7+/m1/s1.
What are the key properties of [(2R)-1-[(2S,3R)-2-amino-3-hydroxybutanoyl]pyrrolidin-2-yl]boronic acid?
[(2R)-1-[(2S,3R)-2-amino-3-hydroxybutanoyl]pyrrolidin-2-yl]boronic acid has a molecular weight of 216.05 g/mol, XLogP of -2.30, 3 rotatable bonds, 4 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [(2R)-1-[(2S,3R)-2-amino-3-hydroxybutanoyl]pyrrolidin-2-yl]boronic acid is sourced from PubChem (CID 56665883), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).