[(2R)-3-methoxy-3-oxo-2-[[(2S)-1-[(2R)-pyrrolidine-2-carbonyl]pyrrolidine-2-carbonyl]amino]propyl]phosphonic acid

C14H24N3O7P — CID 132969683

About [(2R)-3-methoxy-3-oxo-2-[[(2S)-1-[(2R)-pyrrolidine-2-carbonyl]pyrrolidine-2-carbonyl]amino]propyl]phosphonic acid

[(2R)-3-methoxy-3-oxo-2-[[(2S)-1-[(2R)-pyrrolidine-2-carbonyl]pyrrolidine-2-carbonyl]amino]propyl]phosphonic acid (PubChem CID 132969683) has the molecular formula C14H24N3O7P and a molecular weight of 377.33 g/mol. Its IUPAC name is [(2R)-3-methoxy-3-oxo-2-[[(2S)-1-[(2R)-pyrrolidine-2-carbonyl]pyrrolidine-2-carbonyl]amino]propyl]phosphonic acid.

Molecular Properties

• Compound Name: [(2R)-3-methoxy-3-oxo-2-[[(2S)-1-[(2R)-pyrrolidine-2-carbonyl]pyrrolidine-2-carbonyl]amino]propyl]phosphonic acid
• PubChem CID: 132969683
• Molecular Formula: C14H24N3O7P
• Molecular Weight: 377.33 g/mol
• Exact Mass: 377.14
• IUPAC Name: [(2R)-3-methoxy-3-oxo-2-[[(2S)-1-[(2R)-pyrrolidine-2-carbonyl]pyrrolidine-2-carbonyl]amino]propyl]phosphonic acid
• SMILES: COC(=O)[C@H](CP(=O)(O)O)NC(=O)[C@@H]1CCCN1C(=O)[C@H]1CCCN1
• InChI: InChI=1S/C14H24N3O7P/c1-24-14(20)10(8-25(21,22)23)16-12(18)11-5-3-7-17(11)13(19)9-4-2-6-15-9/h9-11,15H,2-8H2,1H3,(H,16,18)(H2,21,22,23)/t9-,10+,11+/m1/s1
• InChIKey: WKTDMEFUUFICTK-VWYCJHECSA-N
• XLogP: -1.44
• TPSA: 145.27 Ų
• H-Bond Donors: 4
• H-Bond Acceptors: 6
• Rotatable Bonds: 6
• Heavy Atoms: 25
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	377.33
LogP ≤ 5	-1.44
H-Bond Donors ≤ 5	4
H-Bond Acceptors ≤ 10	6

Computed Properties (RDKit)

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

Frequently Asked Questions

What is the IUPAC name of [(2R)-3-methoxy-3-oxo-2-[[(2S)-1-[(2R)-pyrrolidine-2-carbonyl]pyrrolidine-2-carbonyl]amino]propyl]phosphonic acid?

The IUPAC name of [(2R)-3-methoxy-3-oxo-2-[[(2S)-1-[(2R)-pyrrolidine-2-carbonyl]pyrrolidine-2-carbonyl]amino]propyl]phosphonic acid (CID 132969683) is [(2R)-3-methoxy-3-oxo-2-[[(2S)-1-[(2R)-pyrrolidine-2-carbonyl]pyrrolidine-2-carbonyl]amino]propyl]phosphonic acid.

What is the SMILES notation for [(2R)-3-methoxy-3-oxo-2-[[(2S)-1-[(2R)-pyrrolidine-2-carbonyl]pyrrolidine-2-carbonyl]amino]propyl]phosphonic acid?

The canonical SMILES for [(2R)-3-methoxy-3-oxo-2-[[(2S)-1-[(2R)-pyrrolidine-2-carbonyl]pyrrolidine-2-carbonyl]amino]propyl]phosphonic acid is COC(=O)[C@H](CP(=O)(O)O)NC(=O)[C@@H]1CCCN1C(=O)[C@H]1CCCN1.

What is the InChIKey of [(2R)-3-methoxy-3-oxo-2-[[(2S)-1-[(2R)-pyrrolidine-2-carbonyl]pyrrolidine-2-carbonyl]amino]propyl]phosphonic acid?

The InChIKey is WKTDMEFUUFICTK-VWYCJHECSA-N. The full InChI is InChI=1S/C14H24N3O7P/c1-24-14(20)10(8-25(21,22)23)16-12(18)11-5-3-7-17(11)13(19)9-4-2-6-15-9/h9-11,15H,2-8H2,1H3,(H,16,18)(H2,21,22,23)/t9-,10+,11+/m1/s1.

What are the key properties of [(2R)-3-methoxy-3-oxo-2-[[(2S)-1-[(2R)-pyrrolidine-2-carbonyl]pyrrolidine-2-carbonyl]amino]propyl]phosphonic acid?

[(2R)-3-methoxy-3-oxo-2-[[(2S)-1-[(2R)-pyrrolidine-2-carbonyl]pyrrolidine-2-carbonyl]amino]propyl]phosphonic acid has a molecular weight of 377.33 g/mol, XLogP of -1.44, 6 rotatable bonds, 4 hydrogen bond donors, and 6 hydrogen bond acceptors.

Where does this data come from?

All data for [(2R)-3-methoxy-3-oxo-2-[[(2S)-1-[(2R)-pyrrolidine-2-carbonyl]pyrrolidine-2-carbonyl]amino]propyl]phosphonic acid is sourced from PubChem (CID 132969683), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).