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

C7H15BN2O4 — CID 74765690

IUPAC[(2R)-1-[(2S)-2-amino-3-hydroxypropanoyl]pyrrolidin-2-yl]boronic acid
SMILESN[C@@H](CO)C(=O)N1CCC[C@H]1B(O)O
InChIInChI=1S/C7H15BN2O4/c9-5(4-11)7(12)10-3-1-2-6(10)8(13)14/h5-6,11,13-14H,1-4,9H2/t5-,6-/m0/s1
InChIKeyIFLJRFZFWDAEHE-WDSKDSINSA-N
MW202.02 g/mol
LogP-2.69
Rot. Bonds3

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

[(2R)-1-[(2S)-2-amino-3-hydroxypropanoyl]pyrrolidin-2-yl]boronic acid (PubChem CID 74765690) has the molecular formula C7H15BN2O4 and a molecular weight of 202.02 g/mol. Its IUPAC name is [(2R)-1-[(2S)-2-amino-3-hydroxypropanoyl]pyrrolidin-2-yl]boronic acid.

Molecular Properties

Compound Name[(2R)-1-[(2S)-2-amino-3-hydroxypropanoyl]pyrrolidin-2-yl]boronic acid
PubChem CID74765690
Molecular FormulaC7H15BN2O4
Molecular Weight202.02 g/mol
Exact Mass202.11
IUPAC Name[(2R)-1-[(2S)-2-amino-3-hydroxypropanoyl]pyrrolidin-2-yl]boronic acid
SMILESN[C@@H](CO)C(=O)N1CCC[C@H]1B(O)O
InChIInChI=1S/C7H15BN2O4/c9-5(4-11)7(12)10-3-1-2-6(10)8(13)14/h5-6,11,13-14H,1-4,9H2/t5-,6-/m0/s1
InChIKeyIFLJRFZFWDAEHE-WDSKDSINSA-N
XLogP-2.69
TPSA107.02 Ų
H-Bond Donors4
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500202.02
LogP ≤ 5-2.69
H-Bond Donors ≤ 54
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 [(2R)-1-[(2S)-2-amino-3-hydroxypropanoyl]pyrrolidin-2-yl]boronic acid?
The IUPAC name of [(2R)-1-[(2S)-2-amino-3-hydroxypropanoyl]pyrrolidin-2-yl]boronic acid (CID 74765690) is [(2R)-1-[(2S)-2-amino-3-hydroxypropanoyl]pyrrolidin-2-yl]boronic acid.
What is the SMILES notation for [(2R)-1-[(2S)-2-amino-3-hydroxypropanoyl]pyrrolidin-2-yl]boronic acid?
The canonical SMILES for [(2R)-1-[(2S)-2-amino-3-hydroxypropanoyl]pyrrolidin-2-yl]boronic acid is N[C@@H](CO)C(=O)N1CCC[C@H]1B(O)O.
What is the InChIKey of [(2R)-1-[(2S)-2-amino-3-hydroxypropanoyl]pyrrolidin-2-yl]boronic acid?
The InChIKey is IFLJRFZFWDAEHE-WDSKDSINSA-N. The full InChI is InChI=1S/C7H15BN2O4/c9-5(4-11)7(12)10-3-1-2-6(10)8(13)14/h5-6,11,13-14H,1-4,9H2/t5-,6-/m0/s1.
What are the key properties of [(2R)-1-[(2S)-2-amino-3-hydroxypropanoyl]pyrrolidin-2-yl]boronic acid?
[(2R)-1-[(2S)-2-amino-3-hydroxypropanoyl]pyrrolidin-2-yl]boronic acid has a molecular weight of 202.02 g/mol, XLogP of -2.69, 3 rotatable bonds, 4 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [(2R)-1-[(2S)-2-amino-3-hydroxypropanoyl]pyrrolidin-2-yl]boronic acid is sourced from PubChem (CID 74765690), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).