(3R,4S)-3-amino-1-[[(2R)-2-amino-3,3-difluoropropyl]sulfamoyl]-4-(3-boronopropyl)pyrrolidine-3-carboxylic acid;(3R,4S)-3-amino-1-[[(2R)-1-amino-3-fluoropropan-2-yl]sulfamoyl]-4-(3-boronopropyl)pyrrolidine-3-carboxylic acid;(3R,4S)-3-amino-1-[[(2R)-2-amino-3-fluoropropyl]sulfamoyl]-4-(3-boronopropyl)pyrrolidine-3-carboxylic acid;3-[(3S,4S)-4-amino-1-[[(2S)-3-amino-1,1,1-trifluoropropan-2-yl]sulfamoyl]-4-formyloxypyrrolidin-3-yl]propylboronic acid;3-[(3S,4S)-4-amino-1-[[(2R)-2-amino-3,3,3-trifluoropropyl]sulfamoyl]-4-formyloxypyrrolidin-3-yl]propylboronic acid

C55H115B5F10N20O30S5 — CID 167612835

About (3R,4S)-3-amino-1-[[(2R)-2-amino-3,3-difluoropropyl]sulfamoyl]-4-(3-boronopropyl)pyrrolidine-3-carboxylic acid;(3R,4S)-3-amino-1-[[(2R)-1-amino-3-fluoropropan-2-yl]sulfamoyl]-4-(3-boronopropyl)pyrrolidine-3-carboxylic acid;(3R,4S)-3-amino-1-[[(2R)-2-amino-3-fluoropropyl]sulfamoyl]-4-(3-boronopropyl)pyrrolidine-3-carboxylic acid;3-[(3S,4S)-4-amino-1-[[(2S)-3-amino-1,1,1-trifluoropropan-2-yl]sulfamoyl]-4-formyloxypyrrolidin-3-yl]propylboronic acid;3-[(3S,4S)-4-amino-1-[[(2R)-2-amino-3,3,3-trifluoropropyl]sulfamoyl]-4-formyloxypyrrolidin-3-yl]propylboronic acid

(3R,4S)-3-amino-1-[[(2R)-2-amino-3,3-difluoropropyl]sulfamoyl]-4-(3-boronopropyl)pyrrolidine-3-carboxylic acid;(3R,4S)-3-amino-1-[[(2R)-1-amino-3-fluoropropan-2-yl]sulfamoyl]-4-(3-boronopropyl)pyrrolidine-3-carboxylic acid;(3R,4S)-3-amino-1-[[(2R)-2-amino-3-fluoropropyl]sulfamoyl]-4-(3-boronopropyl)pyrrolidine-3-carboxylic acid;3-[(3S,4S)-4-amino-1-[[(2S)-3-amino-1,1,1-trifluoropropan-2-yl]sulfamoyl]-4-formyloxypyrrolidin-3-yl]propylboronic acid;3-[(3S,4S)-4-amino-1-[[(2R)-2-amino-3,3,3-trifluoropropyl]sulfamoyl]-4-formyloxypyrrolidin-3-yl]propylboronic acid (PubChem CID 167612835) has the molecular formula C55H115B5F10N20O30S5 and a molecular weight of 1941.01 g/mol. Its IUPAC name is (3R,4S)-3-amino-1-[[(2R)-2-amino-3,3-difluoropropyl]sulfamoyl]-4-(3-boronopropyl)pyrrolidine-3-carboxylic acid;(3R,4S)-3-amino-1-[[(2R)-1-amino-3-fluoropropan-2-yl]sulfamoyl]-4-(3-boronopropyl)pyrrolidine-3-carboxylic acid;(3R,4S)-3-amino-1-[[(2R)-2-amino-3-fluoropropyl]sulfamoyl]-4-(3-boronopropyl)pyrrolidine-3-carboxylic acid;3-[(3S,4S)-4-amino-1-[[(2S)-3-amino-1,1,1-trifluoropropan-2-yl]sulfamoyl]-4-formyloxypyrrolidin-3-yl]propylboronic acid;3-[(3S,4S)-4-amino-1-[[(2R)-2-amino-3,3,3-trifluoropropyl]sulfamoyl]-4-formyloxypyrrolidin-3-yl]propylboronic acid.

Molecular Properties

• Compound Name: (3R,4S)-3-amino-1-[[(2R)-2-amino-3,3-difluoropropyl]sulfamoyl]-4-(3-boronopropyl)pyrrolidine-3-carboxylic acid;(3R,4S)-3-amino-1-[[(2R)-1-amino-3-fluoropropan-2-yl]sulfamoyl]-4-(3-boronopropyl)pyrrolidine-3-carboxylic acid;(3R,4S)-3-amino-1-[[(2R)-2-amino-3-fluoropropyl]sulfamoyl]-4-(3-boronopropyl)pyrrolidine-3-carboxylic acid;3-[(3S,4S)-4-amino-1-[[(2S)-3-amino-1,1,1-trifluoropropan-2-yl]sulfamoyl]-4-formyloxypyrrolidin-3-yl]propylboronic acid;3-[(3S,4S)-4-amino-1-[[(2R)-2-amino-3,3,3-trifluoropropyl]sulfamoyl]-4-formyloxypyrrolidin-3-yl]propylboronic acid
• PubChem CID: 167612835
• Molecular Formula: C55H115B5F10N20O30S5
• Molecular Weight: 1941.01 g/mol
• Exact Mass: 1940.70
• IUPAC Name: (3R,4S)-3-amino-1-[[(2R)-2-amino-3,3-difluoropropyl]sulfamoyl]-4-(3-boronopropyl)pyrrolidine-3-carboxylic acid;(3R,4S)-3-amino-1-[[(2R)-1-amino-3-fluoropropan-2-yl]sulfamoyl]-4-(3-boronopropyl)pyrrolidine-3-carboxylic acid;(3R,4S)-3-amino-1-[[(2R)-2-amino-3-fluoropropyl]sulfamoyl]-4-(3-boronopropyl)pyrrolidine-3-carboxylic acid;3-[(3S,4S)-4-amino-1-[[(2S)-3-amino-1,1,1-trifluoropropan-2-yl]sulfamoyl]-4-formyloxypyrrolidin-3-yl]propylboronic acid;3-[(3S,4S)-4-amino-1-[[(2R)-2-amino-3,3,3-trifluoropropyl]sulfamoyl]-4-formyloxypyrrolidin-3-yl]propylboronic acid
• SMILES: NC[C@H](CF)NS(=O)(=O)N1C[C@H](CCCB(O)O)[C@](N)(C(=O)O)C1.NC[C@H](NS(=O)(=O)N1C[C@H](CCCB(O)O)[C@](N)(OC=O)C1)C(F)(F)F.N[C@@H](CF)CNS(=O)(=O)N1C[C@H](CCCB(O)O)[C@](N)(C(=O)O)C1.N[C@H](CNS(=O)(=O)N1C[C@H](CCCB(O)O)[C@](N)(C(=O)O)C1)C(F)F.N[C@H](CNS(=O)(=O)N1C[C@H](CCCB(O)O)[C@](N)(OC=O)C1)C(F)(F)F
• InChI: InChI=1S/2C11H22BF3N4O6S.C11H23BF2N4O6S.2C11H24BFN4O6S/c13-11(14,15)9(16)4-18-26(23,24)19-5-8(2-1-3-12(21)22)10(17,6-19)25-7-20;13-11(14,15)9(4-16)18-26(23,24)19-5-8(2-1-3-12(21)22)10(17,6-19)25-7-20;13-9(14)8(15)4-17-25(23,24)18-5-7(2-1-3-12(21)22)11(16,6-18)10(19)20;13-4-9(14)5-16-24(22,23)17-6-8(2-1-3-12(20)21)11(15,7-17)10(18)19;13-4-9(5-14)16-24(22,23)17-6-8(2-1-3-12(20)21)11(15,7-17)10(18)19/h2*7-9,18,21-22H,1-6,16-17H2;7-9,17,21-22H,1-6,15-16H2,(H,19,20);2*8-9,16,20-21H,1-7,14-15H2,(H,18,19)/t8-,9+,10+;8-,9-,10+;7-,8+,11-;2*8-,9-,11-/m00000/s1
• InChIKey: LHTLSFQDLIMKFI-BATUEPRDSA-N
• XLogP: -13.00
• TPSA: 874.05 Ų
• H-Bond Donors: 28
• H-Bond Acceptors: 37
• Rotatable Bonds: 50
• Heavy Atoms: 125
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	1941.01
LogP ≤ 5	-13.00
H-Bond Donors ≤ 5	28
H-Bond Acceptors ≤ 10	37

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': 'aldehyde', 'substructure': 'N/A'}, {'alert_name': 'heavy_metal', 'substructure': 'N/A'}, {'alert_name': 'het-C-het_not_in_ring', 'substructure': 'N/A'}

Frequently Asked Questions

What is the IUPAC name of (3R,4S)-3-amino-1-[[(2R)-2-amino-3,3-difluoropropyl]sulfamoyl]-4-(3-boronopropyl)pyrrolidine-3-carboxylic acid;(3R,4S)-3-amino-1-[[(2R)-1-amino-3-fluoropropan-2-yl]sulfamoyl]-4-(3-boronopropyl)pyrrolidine-3-carboxylic acid;(3R,4S)-3-amino-1-[[(2R)-2-amino-3-fluoropropyl]sulfamoyl]-4-(3-boronopropyl)pyrrolidine-3-carboxylic acid;3-[(3S,4S)-4-amino-1-[[(2S)-3-amino-1,1,1-trifluoropropan-2-yl]sulfamoyl]-4-formyloxypyrrolidin-3-yl]propylboronic acid;3-[(3S,4S)-4-amino-1-[[(2R)-2-amino-3,3,3-trifluoropropyl]sulfamoyl]-4-formyloxypyrrolidin-3-yl]propylboronic acid?

The IUPAC name of (3R,4S)-3-amino-1-[[(2R)-2-amino-3,3-difluoropropyl]sulfamoyl]-4-(3-boronopropyl)pyrrolidine-3-carboxylic acid;(3R,4S)-3-amino-1-[[(2R)-1-amino-3-fluoropropan-2-yl]sulfamoyl]-4-(3-boronopropyl)pyrrolidine-3-carboxylic acid;(3R,4S)-3-amino-1-[[(2R)-2-amino-3-fluoropropyl]sulfamoyl]-4-(3-boronopropyl)pyrrolidine-3-carboxylic acid;3-[(3S,4S)-4-amino-1-[[(2S)-3-amino-1,1,1-trifluoropropan-2-yl]sulfamoyl]-4-formyloxypyrrolidin-3-yl]propylboronic acid;3-[(3S,4S)-4-amino-1-[[(2R)-2-amino-3,3,3-trifluoropropyl]sulfamoyl]-4-formyloxypyrrolidin-3-yl]propylboronic acid (CID 167612835) is (3R,4S)-3-amino-1-[[(2R)-2-amino-3,3-difluoropropyl]sulfamoyl]-4-(3-boronopropyl)pyrrolidine-3-carboxylic acid;(3R,4S)-3-amino-1-[[(2R)-1-amino-3-fluoropropan-2-yl]sulfamoyl]-4-(3-boronopropyl)pyrrolidine-3-carboxylic acid;(3R,4S)-3-amino-1-[[(2R)-2-amino-3-fluoropropyl]sulfamoyl]-4-(3-boronopropyl)pyrrolidine-3-carboxylic acid;3-[(3S,4S)-4-amino-1-[[(2S)-3-amino-1,1,1-trifluoropropan-2-yl]sulfamoyl]-4-formyloxypyrrolidin-3-yl]propylboronic acid;3-[(3S,4S)-4-amino-1-[[(2R)-2-amino-3,3,3-trifluoropropyl]sulfamoyl]-4-formyloxypyrrolidin-3-yl]propylboronic acid.

What is the SMILES notation for (3R,4S)-3-amino-1-[[(2R)-2-amino-3,3-difluoropropyl]sulfamoyl]-4-(3-boronopropyl)pyrrolidine-3-carboxylic acid;(3R,4S)-3-amino-1-[[(2R)-1-amino-3-fluoropropan-2-yl]sulfamoyl]-4-(3-boronopropyl)pyrrolidine-3-carboxylic acid;(3R,4S)-3-amino-1-[[(2R)-2-amino-3-fluoropropyl]sulfamoyl]-4-(3-boronopropyl)pyrrolidine-3-carboxylic acid;3-[(3S,4S)-4-amino-1-[[(2S)-3-amino-1,1,1-trifluoropropan-2-yl]sulfamoyl]-4-formyloxypyrrolidin-3-yl]propylboronic acid;3-[(3S,4S)-4-amino-1-[[(2R)-2-amino-3,3,3-trifluoropropyl]sulfamoyl]-4-formyloxypyrrolidin-3-yl]propylboronic acid?

The canonical SMILES for (3R,4S)-3-amino-1-[[(2R)-2-amino-3,3-difluoropropyl]sulfamoyl]-4-(3-boronopropyl)pyrrolidine-3-carboxylic acid;(3R,4S)-3-amino-1-[[(2R)-1-amino-3-fluoropropan-2-yl]sulfamoyl]-4-(3-boronopropyl)pyrrolidine-3-carboxylic acid;(3R,4S)-3-amino-1-[[(2R)-2-amino-3-fluoropropyl]sulfamoyl]-4-(3-boronopropyl)pyrrolidine-3-carboxylic acid;3-[(3S,4S)-4-amino-1-[[(2S)-3-amino-1,1,1-trifluoropropan-2-yl]sulfamoyl]-4-formyloxypyrrolidin-3-yl]propylboronic acid;3-[(3S,4S)-4-amino-1-[[(2R)-2-amino-3,3,3-trifluoropropyl]sulfamoyl]-4-formyloxypyrrolidin-3-yl]propylboronic acid is NC[C@H](CF)NS(=O)(=O)N1C[C@H](CCCB(O)O)[C@](N)(C(=O)O)C1.NC[C@H](NS(=O)(=O)N1C[C@H](CCCB(O)O)[C@](N)(OC=O)C1)C(F)(F)F.N[C@@H](CF)CNS(=O)(=O)N1C[C@H](CCCB(O)O)[C@](N)(C(=O)O)C1.N[C@H](CNS(=O)(=O)N1C[C@H](CCCB(O)O)[C@](N)(C(=O)O)C1)C(F)F.N[C@H](CNS(=O)(=O)N1C[C@H](CCCB(O)O)[C@](N)(OC=O)C1)C(F)(F)F.

What is the InChIKey of (3R,4S)-3-amino-1-[[(2R)-2-amino-3,3-difluoropropyl]sulfamoyl]-4-(3-boronopropyl)pyrrolidine-3-carboxylic acid;(3R,4S)-3-amino-1-[[(2R)-1-amino-3-fluoropropan-2-yl]sulfamoyl]-4-(3-boronopropyl)pyrrolidine-3-carboxylic acid;(3R,4S)-3-amino-1-[[(2R)-2-amino-3-fluoropropyl]sulfamoyl]-4-(3-boronopropyl)pyrrolidine-3-carboxylic acid;3-[(3S,4S)-4-amino-1-[[(2S)-3-amino-1,1,1-trifluoropropan-2-yl]sulfamoyl]-4-formyloxypyrrolidin-3-yl]propylboronic acid;3-[(3S,4S)-4-amino-1-[[(2R)-2-amino-3,3,3-trifluoropropyl]sulfamoyl]-4-formyloxypyrrolidin-3-yl]propylboronic acid?

The InChIKey is LHTLSFQDLIMKFI-BATUEPRDSA-N. The full InChI is InChI=1S/2C11H22BF3N4O6S.C11H23BF2N4O6S.2C11H24BFN4O6S/c13-11(14,15)9(16)4-18-26(23,24)19-5-8(2-1-3-12(21)22)10(17,6-19)25-7-20;13-11(14,15)9(4-16)18-26(23,24)19-5-8(2-1-3-12(21)22)10(17,6-19)25-7-20;13-9(14)8(15)4-17-25(23,24)18-5-7(2-1-3-12(21)22)11(16,6-18)10(19)20;13-4-9(14)5-16-24(22,23)17-6-8(2-1-3-12(20)21)11(15,7-17)10(18)19;13-4-9(5-14)16-24(22,23)17-6-8(2-1-3-12(20)21)11(15,7-17)10(18)19/h2*7-9,18,21-22H,1-6,16-17H2;7-9,17,21-22H,1-6,15-16H2,(H,19,20);2*8-9,16,20-21H,1-7,14-15H2,(H,18,19)/t8-,9+,10+;8-,9-,10+;7-,8+,11-;2*8-,9-,11-/m00000/s1.

What are the key properties of (3R,4S)-3-amino-1-[[(2R)-2-amino-3,3-difluoropropyl]sulfamoyl]-4-(3-boronopropyl)pyrrolidine-3-carboxylic acid;(3R,4S)-3-amino-1-[[(2R)-1-amino-3-fluoropropan-2-yl]sulfamoyl]-4-(3-boronopropyl)pyrrolidine-3-carboxylic acid;(3R,4S)-3-amino-1-[[(2R)-2-amino-3-fluoropropyl]sulfamoyl]-4-(3-boronopropyl)pyrrolidine-3-carboxylic acid;3-[(3S,4S)-4-amino-1-[[(2S)-3-amino-1,1,1-trifluoropropan-2-yl]sulfamoyl]-4-formyloxypyrrolidin-3-yl]propylboronic acid;3-[(3S,4S)-4-amino-1-[[(2R)-2-amino-3,3,3-trifluoropropyl]sulfamoyl]-4-formyloxypyrrolidin-3-yl]propylboronic acid?

(3R,4S)-3-amino-1-[[(2R)-2-amino-3,3-difluoropropyl]sulfamoyl]-4-(3-boronopropyl)pyrrolidine-3-carboxylic acid;(3R,4S)-3-amino-1-[[(2R)-1-amino-3-fluoropropan-2-yl]sulfamoyl]-4-(3-boronopropyl)pyrrolidine-3-carboxylic acid;(3R,4S)-3-amino-1-[[(2R)-2-amino-3-fluoropropyl]sulfamoyl]-4-(3-boronopropyl)pyrrolidine-3-carboxylic acid;3-[(3S,4S)-4-amino-1-[[(2S)-3-amino-1,1,1-trifluoropropan-2-yl]sulfamoyl]-4-formyloxypyrrolidin-3-yl]propylboronic acid;3-[(3S,4S)-4-amino-1-[[(2R)-2-amino-3,3,3-trifluoropropyl]sulfamoyl]-4-formyloxypyrrolidin-3-yl]propylboronic acid has a molecular weight of 1941.01 g/mol, XLogP of -13.00, 50 rotatable bonds, 28 hydrogen bond donors, and 37 hydrogen bond acceptors.

Where does this data come from?

All data for (3R,4S)-3-amino-1-[[(2R)-2-amino-3,3-difluoropropyl]sulfamoyl]-4-(3-boronopropyl)pyrrolidine-3-carboxylic acid;(3R,4S)-3-amino-1-[[(2R)-1-amino-3-fluoropropan-2-yl]sulfamoyl]-4-(3-boronopropyl)pyrrolidine-3-carboxylic acid;(3R,4S)-3-amino-1-[[(2R)-2-amino-3-fluoropropyl]sulfamoyl]-4-(3-boronopropyl)pyrrolidine-3-carboxylic acid;3-[(3S,4S)-4-amino-1-[[(2S)-3-amino-1,1,1-trifluoropropan-2-yl]sulfamoyl]-4-formyloxypyrrolidin-3-yl]propylboronic acid;3-[(3S,4S)-4-amino-1-[[(2R)-2-amino-3,3,3-trifluoropropyl]sulfamoyl]-4-formyloxypyrrolidin-3-yl]propylboronic acid is sourced from PubChem (CID 167612835), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).