(2R,3S,4R)-3-(3-boronopropyl)-3-fluoro-4-hydroxypyrrolidine-2-carboxylic acid

C8H15BFNO5 — CID 155793393

IUPAC(2R,3S,4R)-3-(3-boronopropyl)-3-fluoro-4-hydroxypyrrolidine-2-carboxylic acid
SMILESO=C(O)[C@H]1NC[C@@H](O)[C@]1(F)CCCB(O)O
InChIInChI=1S/C8H15BFNO5/c10-8(2-1-3-9(15)16)5(12)4-11-6(8)7(13)14/h5-6,11-12,15-16H,1-4H2,(H,13,14)/t5-,6-,8-/m1/s1
InChIKeyRXMSBJBBJGFKAD-ATRFCDNQSA-N
MW235.02 g/mol
LogP-1.63
Rot. Bonds5

About (2R,3S,4R)-3-(3-boronopropyl)-3-fluoro-4-hydroxypyrrolidine-2-carboxylic acid

(2R,3S,4R)-3-(3-boronopropyl)-3-fluoro-4-hydroxypyrrolidine-2-carboxylic acid (PubChem CID 155793393) has the molecular formula C8H15BFNO5 and a molecular weight of 235.02 g/mol. Its IUPAC name is (2R,3S,4R)-3-(3-boronopropyl)-3-fluoro-4-hydroxypyrrolidine-2-carboxylic acid.

Molecular Properties

Compound Name(2R,3S,4R)-3-(3-boronopropyl)-3-fluoro-4-hydroxypyrrolidine-2-carboxylic acid
PubChem CID155793393
Molecular FormulaC8H15BFNO5
Molecular Weight235.02 g/mol
Exact Mass235.10
IUPAC Name(2R,3S,4R)-3-(3-boronopropyl)-3-fluoro-4-hydroxypyrrolidine-2-carboxylic acid
SMILESO=C(O)[C@H]1NC[C@@H](O)[C@]1(F)CCCB(O)O
InChIInChI=1S/C8H15BFNO5/c10-8(2-1-3-9(15)16)5(12)4-11-6(8)7(13)14/h5-6,11-12,15-16H,1-4H2,(H,13,14)/t5-,6-,8-/m1/s1
InChIKeyRXMSBJBBJGFKAD-ATRFCDNQSA-N
XLogP-1.63
TPSA110.02 Ų
H-Bond Donors5
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500235.02
LogP ≤ 5-1.63
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 (2R,3S,4R)-3-(3-boronopropyl)-3-fluoro-4-hydroxypyrrolidine-2-carboxylic acid?
The IUPAC name of (2R,3S,4R)-3-(3-boronopropyl)-3-fluoro-4-hydroxypyrrolidine-2-carboxylic acid (CID 155793393) is (2R,3S,4R)-3-(3-boronopropyl)-3-fluoro-4-hydroxypyrrolidine-2-carboxylic acid.
What is the SMILES notation for (2R,3S,4R)-3-(3-boronopropyl)-3-fluoro-4-hydroxypyrrolidine-2-carboxylic acid?
The canonical SMILES for (2R,3S,4R)-3-(3-boronopropyl)-3-fluoro-4-hydroxypyrrolidine-2-carboxylic acid is O=C(O)[C@H]1NC[C@@H](O)[C@]1(F)CCCB(O)O.
What is the InChIKey of (2R,3S,4R)-3-(3-boronopropyl)-3-fluoro-4-hydroxypyrrolidine-2-carboxylic acid?
The InChIKey is RXMSBJBBJGFKAD-ATRFCDNQSA-N. The full InChI is InChI=1S/C8H15BFNO5/c10-8(2-1-3-9(15)16)5(12)4-11-6(8)7(13)14/h5-6,11-12,15-16H,1-4H2,(H,13,14)/t5-,6-,8-/m1/s1.
What are the key properties of (2R,3S,4R)-3-(3-boronopropyl)-3-fluoro-4-hydroxypyrrolidine-2-carboxylic acid?
(2R,3S,4R)-3-(3-boronopropyl)-3-fluoro-4-hydroxypyrrolidine-2-carboxylic acid has a molecular weight of 235.02 g/mol, XLogP of -1.63, 5 rotatable bonds, 5 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (2R,3S,4R)-3-(3-boronopropyl)-3-fluoro-4-hydroxypyrrolidine-2-carboxylic acid is sourced from PubChem (CID 155793393), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).