(3R,4S)-3-amino-1-[[(1R,2R)-2-aminocyclobutyl]sulfamoyl]-4-(3-boronopropyl)pyrrolidine-3-carboxylic acid;(3R,4S)-3-amino-1-[(3-aminooxan-4-yl)sulfamoyl]-4-(3-boronopropyl)pyrrolidine-3-carboxylic acid;(3R,4S)-3-amino-1-[[(3R,4R)-4-aminooxolan-3-yl]sulfamoyl]-4-(3-boronopropyl)pyrrolidine-3-carboxylic acid;(3R,4S)-3-amino-1-[[(3S,4S)-4-aminooxolan-3-yl]sulfamoyl]-4-(3-boronopropyl)pyrrolidine-3-carboxylic acid;(3R,4S)-3-amino-1-[[(3R,4S)-4-aminooxolan-3-yl]sulfamoyl]-4-(3-boronopropyl)pyrrolidine-3-carboxylic acid

C61H127B5N20O34S5 — CID 167565139

About (3R,4S)-3-amino-1-[[(1R,2R)-2-aminocyclobutyl]sulfamoyl]-4-(3-boronopropyl)pyrrolidine-3-carboxylic acid;(3R,4S)-3-amino-1-[(3-aminooxan-4-yl)sulfamoyl]-4-(3-boronopropyl)pyrrolidine-3-carboxylic acid;(3R,4S)-3-amino-1-[[(3R,4R)-4-aminooxolan-3-yl]sulfamoyl]-4-(3-boronopropyl)pyrrolidine-3-carboxylic acid;(3R,4S)-3-amino-1-[[(3S,4S)-4-aminooxolan-3-yl]sulfamoyl]-4-(3-boronopropyl)pyrrolidine-3-carboxylic acid;(3R,4S)-3-amino-1-[[(3R,4S)-4-aminooxolan-3-yl]sulfamoyl]-4-(3-boronopropyl)pyrrolidine-3-carboxylic acid

(3R,4S)-3-amino-1-[[(1R,2R)-2-aminocyclobutyl]sulfamoyl]-4-(3-boronopropyl)pyrrolidine-3-carboxylic acid;(3R,4S)-3-amino-1-[(3-aminooxan-4-yl)sulfamoyl]-4-(3-boronopropyl)pyrrolidine-3-carboxylic acid;(3R,4S)-3-amino-1-[[(3R,4R)-4-aminooxolan-3-yl]sulfamoyl]-4-(3-boronopropyl)pyrrolidine-3-carboxylic acid;(3R,4S)-3-amino-1-[[(3S,4S)-4-aminooxolan-3-yl]sulfamoyl]-4-(3-boronopropyl)pyrrolidine-3-carboxylic acid;(3R,4S)-3-amino-1-[[(3R,4S)-4-aminooxolan-3-yl]sulfamoyl]-4-(3-boronopropyl)pyrrolidine-3-carboxylic acid (PubChem CID 167565139) has the molecular formula C61H127B5N20O34S5 and a molecular weight of 1899.19 g/mol. Its IUPAC name is (3R,4S)-3-amino-1-[[(1R,2R)-2-aminocyclobutyl]sulfamoyl]-4-(3-boronopropyl)pyrrolidine-3-carboxylic acid;(3R,4S)-3-amino-1-[(3-aminooxan-4-yl)sulfamoyl]-4-(3-boronopropyl)pyrrolidine-3-carboxylic acid;(3R,4S)-3-amino-1-[[(3R,4R)-4-aminooxolan-3-yl]sulfamoyl]-4-(3-boronopropyl)pyrrolidine-3-carboxylic acid;(3R,4S)-3-amino-1-[[(3S,4S)-4-aminooxolan-3-yl]sulfamoyl]-4-(3-boronopropyl)pyrrolidine-3-carboxylic acid;(3R,4S)-3-amino-1-[[(3R,4S)-4-aminooxolan-3-yl]sulfamoyl]-4-(3-boronopropyl)pyrrolidine-3-carboxylic acid.

Molecular Properties

• Compound Name: (3R,4S)-3-amino-1-[[(1R,2R)-2-aminocyclobutyl]sulfamoyl]-4-(3-boronopropyl)pyrrolidine-3-carboxylic acid;(3R,4S)-3-amino-1-[(3-aminooxan-4-yl)sulfamoyl]-4-(3-boronopropyl)pyrrolidine-3-carboxylic acid;(3R,4S)-3-amino-1-[[(3R,4R)-4-aminooxolan-3-yl]sulfamoyl]-4-(3-boronopropyl)pyrrolidine-3-carboxylic acid;(3R,4S)-3-amino-1-[[(3S,4S)-4-aminooxolan-3-yl]sulfamoyl]-4-(3-boronopropyl)pyrrolidine-3-carboxylic acid;(3R,4S)-3-amino-1-[[(3R,4S)-4-aminooxolan-3-yl]sulfamoyl]-4-(3-boronopropyl)pyrrolidine-3-carboxylic acid
• PubChem CID: 167565139
• Molecular Formula: C61H127B5N20O34S5
• Molecular Weight: 1899.19 g/mol
• Exact Mass: 1898.79
• IUPAC Name: (3R,4S)-3-amino-1-[[(1R,2R)-2-aminocyclobutyl]sulfamoyl]-4-(3-boronopropyl)pyrrolidine-3-carboxylic acid;(3R,4S)-3-amino-1-[(3-aminooxan-4-yl)sulfamoyl]-4-(3-boronopropyl)pyrrolidine-3-carboxylic acid;(3R,4S)-3-amino-1-[[(3R,4R)-4-aminooxolan-3-yl]sulfamoyl]-4-(3-boronopropyl)pyrrolidine-3-carboxylic acid;(3R,4S)-3-amino-1-[[(3S,4S)-4-aminooxolan-3-yl]sulfamoyl]-4-(3-boronopropyl)pyrrolidine-3-carboxylic acid;(3R,4S)-3-amino-1-[[(3R,4S)-4-aminooxolan-3-yl]sulfamoyl]-4-(3-boronopropyl)pyrrolidine-3-carboxylic acid
• SMILES: NC1COCCC1NS(=O)(=O)N1C[C@H](CCCB(O)O)[C@](N)(C(=O)O)C1.N[C@@H]1CC[C@H]1NS(=O)(=O)N1C[C@H](CCCB(O)O)[C@](N)(C(=O)O)C1.N[C@@H]1COC[C@@H]1NS(=O)(=O)N1C[C@H](CCCB(O)O)[C@](N)(C(=O)O)C1.N[C@@H]1COC[C@H]1NS(=O)(=O)N1C[C@H](CCCB(O)O)[C@](N)(C(=O)O)C1.N[C@H]1COC[C@@H]1NS(=O)(=O)N1C[C@H](CCCB(O)O)[C@](N)(C(=O)O)C1
• InChI: InChI=1S/C13H27BN4O7S.3C12H25BN4O7S.C12H25BN4O6S/c15-10-7-25-5-3-11(10)17-26(23,24)18-6-9(2-1-4-14(21)22)13(16,8-18)12(19)20;3*14-9-5-24-6-10(9)16-25(22,23)17-4-8(2-1-3-13(20)21)12(15,7-17)11(18)19;14-9-3-4-10(9)16-24(22,23)17-6-8(2-1-5-13(20)21)12(15,7-17)11(18)19/h9-11,17,21-22H,1-8,15-16H2,(H,19,20);3*8-10,16,20-21H,1-7,14-15H2,(H,18,19);8-10,16,20-21H,1-7,14-15H2,(H,18,19)/t9-,10?,11?,13-;8-,9+,10+,12-;8-,9+,10-,12-;8-,9-,10-,12-;8-,9+,10+,12-/m00000/s1
• InChIKey: FEGUPCBBJHMKPX-RAKPHRFJSA-N
• XLogP: -16.28
• TPSA: 932.97 Ų
• H-Bond Donors: 30
• H-Bond Acceptors: 39
• Rotatable Bonds: 40
• Heavy Atoms: 125
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	1899.19
LogP ≤ 5	-16.28
H-Bond Donors ≤ 5	30
H-Bond Acceptors ≤ 10	39

Computed Properties (RDKit)

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

Frequently Asked Questions

What is the IUPAC name of (3R,4S)-3-amino-1-[[(1R,2R)-2-aminocyclobutyl]sulfamoyl]-4-(3-boronopropyl)pyrrolidine-3-carboxylic acid;(3R,4S)-3-amino-1-[(3-aminooxan-4-yl)sulfamoyl]-4-(3-boronopropyl)pyrrolidine-3-carboxylic acid;(3R,4S)-3-amino-1-[[(3R,4R)-4-aminooxolan-3-yl]sulfamoyl]-4-(3-boronopropyl)pyrrolidine-3-carboxylic acid;(3R,4S)-3-amino-1-[[(3S,4S)-4-aminooxolan-3-yl]sulfamoyl]-4-(3-boronopropyl)pyrrolidine-3-carboxylic acid;(3R,4S)-3-amino-1-[[(3R,4S)-4-aminooxolan-3-yl]sulfamoyl]-4-(3-boronopropyl)pyrrolidine-3-carboxylic acid?

The IUPAC name of (3R,4S)-3-amino-1-[[(1R,2R)-2-aminocyclobutyl]sulfamoyl]-4-(3-boronopropyl)pyrrolidine-3-carboxylic acid;(3R,4S)-3-amino-1-[(3-aminooxan-4-yl)sulfamoyl]-4-(3-boronopropyl)pyrrolidine-3-carboxylic acid;(3R,4S)-3-amino-1-[[(3R,4R)-4-aminooxolan-3-yl]sulfamoyl]-4-(3-boronopropyl)pyrrolidine-3-carboxylic acid;(3R,4S)-3-amino-1-[[(3S,4S)-4-aminooxolan-3-yl]sulfamoyl]-4-(3-boronopropyl)pyrrolidine-3-carboxylic acid;(3R,4S)-3-amino-1-[[(3R,4S)-4-aminooxolan-3-yl]sulfamoyl]-4-(3-boronopropyl)pyrrolidine-3-carboxylic acid (CID 167565139) is (3R,4S)-3-amino-1-[[(1R,2R)-2-aminocyclobutyl]sulfamoyl]-4-(3-boronopropyl)pyrrolidine-3-carboxylic acid;(3R,4S)-3-amino-1-[(3-aminooxan-4-yl)sulfamoyl]-4-(3-boronopropyl)pyrrolidine-3-carboxylic acid;(3R,4S)-3-amino-1-[[(3R,4R)-4-aminooxolan-3-yl]sulfamoyl]-4-(3-boronopropyl)pyrrolidine-3-carboxylic acid;(3R,4S)-3-amino-1-[[(3S,4S)-4-aminooxolan-3-yl]sulfamoyl]-4-(3-boronopropyl)pyrrolidine-3-carboxylic acid;(3R,4S)-3-amino-1-[[(3R,4S)-4-aminooxolan-3-yl]sulfamoyl]-4-(3-boronopropyl)pyrrolidine-3-carboxylic acid.

What is the SMILES notation for (3R,4S)-3-amino-1-[[(1R,2R)-2-aminocyclobutyl]sulfamoyl]-4-(3-boronopropyl)pyrrolidine-3-carboxylic acid;(3R,4S)-3-amino-1-[(3-aminooxan-4-yl)sulfamoyl]-4-(3-boronopropyl)pyrrolidine-3-carboxylic acid;(3R,4S)-3-amino-1-[[(3R,4R)-4-aminooxolan-3-yl]sulfamoyl]-4-(3-boronopropyl)pyrrolidine-3-carboxylic acid;(3R,4S)-3-amino-1-[[(3S,4S)-4-aminooxolan-3-yl]sulfamoyl]-4-(3-boronopropyl)pyrrolidine-3-carboxylic acid;(3R,4S)-3-amino-1-[[(3R,4S)-4-aminooxolan-3-yl]sulfamoyl]-4-(3-boronopropyl)pyrrolidine-3-carboxylic acid?

The canonical SMILES for (3R,4S)-3-amino-1-[[(1R,2R)-2-aminocyclobutyl]sulfamoyl]-4-(3-boronopropyl)pyrrolidine-3-carboxylic acid;(3R,4S)-3-amino-1-[(3-aminooxan-4-yl)sulfamoyl]-4-(3-boronopropyl)pyrrolidine-3-carboxylic acid;(3R,4S)-3-amino-1-[[(3R,4R)-4-aminooxolan-3-yl]sulfamoyl]-4-(3-boronopropyl)pyrrolidine-3-carboxylic acid;(3R,4S)-3-amino-1-[[(3S,4S)-4-aminooxolan-3-yl]sulfamoyl]-4-(3-boronopropyl)pyrrolidine-3-carboxylic acid;(3R,4S)-3-amino-1-[[(3R,4S)-4-aminooxolan-3-yl]sulfamoyl]-4-(3-boronopropyl)pyrrolidine-3-carboxylic acid is NC1COCCC1NS(=O)(=O)N1C[C@H](CCCB(O)O)[C@](N)(C(=O)O)C1.N[C@@H]1CC[C@H]1NS(=O)(=O)N1C[C@H](CCCB(O)O)[C@](N)(C(=O)O)C1.N[C@@H]1COC[C@@H]1NS(=O)(=O)N1C[C@H](CCCB(O)O)[C@](N)(C(=O)O)C1.N[C@@H]1COC[C@H]1NS(=O)(=O)N1C[C@H](CCCB(O)O)[C@](N)(C(=O)O)C1.N[C@H]1COC[C@@H]1NS(=O)(=O)N1C[C@H](CCCB(O)O)[C@](N)(C(=O)O)C1.

What is the InChIKey of (3R,4S)-3-amino-1-[[(1R,2R)-2-aminocyclobutyl]sulfamoyl]-4-(3-boronopropyl)pyrrolidine-3-carboxylic acid;(3R,4S)-3-amino-1-[(3-aminooxan-4-yl)sulfamoyl]-4-(3-boronopropyl)pyrrolidine-3-carboxylic acid;(3R,4S)-3-amino-1-[[(3R,4R)-4-aminooxolan-3-yl]sulfamoyl]-4-(3-boronopropyl)pyrrolidine-3-carboxylic acid;(3R,4S)-3-amino-1-[[(3S,4S)-4-aminooxolan-3-yl]sulfamoyl]-4-(3-boronopropyl)pyrrolidine-3-carboxylic acid;(3R,4S)-3-amino-1-[[(3R,4S)-4-aminooxolan-3-yl]sulfamoyl]-4-(3-boronopropyl)pyrrolidine-3-carboxylic acid?

The InChIKey is FEGUPCBBJHMKPX-RAKPHRFJSA-N. The full InChI is InChI=1S/C13H27BN4O7S.3C12H25BN4O7S.C12H25BN4O6S/c15-10-7-25-5-3-11(10)17-26(23,24)18-6-9(2-1-4-14(21)22)13(16,8-18)12(19)20;3*14-9-5-24-6-10(9)16-25(22,23)17-4-8(2-1-3-13(20)21)12(15,7-17)11(18)19;14-9-3-4-10(9)16-24(22,23)17-6-8(2-1-5-13(20)21)12(15,7-17)11(18)19/h9-11,17,21-22H,1-8,15-16H2,(H,19,20);3*8-10,16,20-21H,1-7,14-15H2,(H,18,19);8-10,16,20-21H,1-7,14-15H2,(H,18,19)/t9-,10?,11?,13-;8-,9+,10+,12-;8-,9+,10-,12-;8-,9-,10-,12-;8-,9+,10+,12-/m00000/s1.

What are the key properties of (3R,4S)-3-amino-1-[[(1R,2R)-2-aminocyclobutyl]sulfamoyl]-4-(3-boronopropyl)pyrrolidine-3-carboxylic acid;(3R,4S)-3-amino-1-[(3-aminooxan-4-yl)sulfamoyl]-4-(3-boronopropyl)pyrrolidine-3-carboxylic acid;(3R,4S)-3-amino-1-[[(3R,4R)-4-aminooxolan-3-yl]sulfamoyl]-4-(3-boronopropyl)pyrrolidine-3-carboxylic acid;(3R,4S)-3-amino-1-[[(3S,4S)-4-aminooxolan-3-yl]sulfamoyl]-4-(3-boronopropyl)pyrrolidine-3-carboxylic acid;(3R,4S)-3-amino-1-[[(3R,4S)-4-aminooxolan-3-yl]sulfamoyl]-4-(3-boronopropyl)pyrrolidine-3-carboxylic acid?

(3R,4S)-3-amino-1-[[(1R,2R)-2-aminocyclobutyl]sulfamoyl]-4-(3-boronopropyl)pyrrolidine-3-carboxylic acid;(3R,4S)-3-amino-1-[(3-aminooxan-4-yl)sulfamoyl]-4-(3-boronopropyl)pyrrolidine-3-carboxylic acid;(3R,4S)-3-amino-1-[[(3R,4R)-4-aminooxolan-3-yl]sulfamoyl]-4-(3-boronopropyl)pyrrolidine-3-carboxylic acid;(3R,4S)-3-amino-1-[[(3S,4S)-4-aminooxolan-3-yl]sulfamoyl]-4-(3-boronopropyl)pyrrolidine-3-carboxylic acid;(3R,4S)-3-amino-1-[[(3R,4S)-4-aminooxolan-3-yl]sulfamoyl]-4-(3-boronopropyl)pyrrolidine-3-carboxylic acid has a molecular weight of 1899.19 g/mol, XLogP of -16.28, 40 rotatable bonds, 30 hydrogen bond donors, and 39 hydrogen bond acceptors.

Where does this data come from?

All data for (3R,4S)-3-amino-1-[[(1R,2R)-2-aminocyclobutyl]sulfamoyl]-4-(3-boronopropyl)pyrrolidine-3-carboxylic acid;(3R,4S)-3-amino-1-[(3-aminooxan-4-yl)sulfamoyl]-4-(3-boronopropyl)pyrrolidine-3-carboxylic acid;(3R,4S)-3-amino-1-[[(3R,4R)-4-aminooxolan-3-yl]sulfamoyl]-4-(3-boronopropyl)pyrrolidine-3-carboxylic acid;(3R,4S)-3-amino-1-[[(3S,4S)-4-aminooxolan-3-yl]sulfamoyl]-4-(3-boronopropyl)pyrrolidine-3-carboxylic acid;(3R,4S)-3-amino-1-[[(3R,4S)-4-aminooxolan-3-yl]sulfamoyl]-4-(3-boronopropyl)pyrrolidine-3-carboxylic acid is sourced from PubChem (CID 167565139), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).