(2R,3R)-3-methoxy-2-methyl-N-[(2S)-3-oxobutan-2-yl]-3-[(2S)-pyrrolidin-2-yl]propanamide;N-methylpropan-1-amine;tungsten;tungsten(2+)

C17H33N3O3W2 — CID 58114239

About (2R,3R)-3-methoxy-2-methyl-N-[(2S)-3-oxobutan-2-yl]-3-[(2S)-pyrrolidin-2-yl]propanamide;N-methylpropan-1-amine;tungsten;tungsten(2+)

(2R,3R)-3-methoxy-2-methyl-N-[(2S)-3-oxobutan-2-yl]-3-[(2S)-pyrrolidin-2-yl]propanamide;N-methylpropan-1-amine;tungsten;tungsten(2+) (PubChem CID 58114239) has the molecular formula C17H33N3O3W2 and a molecular weight of 695.15 g/mol. Its IUPAC name is (2R,3R)-3-methoxy-2-methyl-N-[(2S)-3-oxobutan-2-yl]-3-[(2S)-pyrrolidin-2-yl]propanamide;N-methylpropan-1-amine;tungsten;tungsten(2+).

Molecular Properties

• Compound Name: (2R,3R)-3-methoxy-2-methyl-N-[(2S)-3-oxobutan-2-yl]-3-[(2S)-pyrrolidin-2-yl]propanamide;N-methylpropan-1-amine;tungsten;tungsten(2+)
• PubChem CID: 58114239
• Molecular Formula: C17H33N3O3W2
• Molecular Weight: 695.15 g/mol
• Exact Mass: 695.15
• IUPAC Name: (2R,3R)-3-methoxy-2-methyl-N-[(2S)-3-oxobutan-2-yl]-3-[(2S)-pyrrolidin-2-yl]propanamide;N-methylpropan-1-amine;tungsten;tungsten(2+)
• SMILES: [CH2-]C(=O)[C@H](C)NC(=O)[C@H](C)[C@@H](OC)[C@@H]1CCCN1.[CH2-]CCNC.[W+2].[W]
• InChI: InChI=1S/C13H23N2O3.C4H10N.2W/c1-8(13(17)15-9(2)10(3)16)12(18-4)11-6-5-7-14-11;1-3-4-5-2;;/h8-9,11-12,14H,3,5-7H2,1-2,4H3,(H,15,17);5H,1,3-4H2,2H3;;/q2*-1;;+2/t8-,9+,11+,12-;;;/m1.../s1
• InChIKey: QMQSKDMMUHVMII-PKIMEBSASA-N
• XLogP: 0.72
• TPSA: 79.46 Ų
• H-Bond Donors: 3
• H-Bond Acceptors: 5
• Rotatable Bonds: 8
• Heavy Atoms: 25
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	695.15
LogP ≤ 5	0.72
H-Bond Donors ≤ 5	3
H-Bond Acceptors ≤ 10	5

Computed Properties (RDKit)

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

Frequently Asked Questions

What is the IUPAC name of (2R,3R)-3-methoxy-2-methyl-N-[(2S)-3-oxobutan-2-yl]-3-[(2S)-pyrrolidin-2-yl]propanamide;N-methylpropan-1-amine;tungsten;tungsten(2+)?

The IUPAC name of (2R,3R)-3-methoxy-2-methyl-N-[(2S)-3-oxobutan-2-yl]-3-[(2S)-pyrrolidin-2-yl]propanamide;N-methylpropan-1-amine;tungsten;tungsten(2+) (CID 58114239) is (2R,3R)-3-methoxy-2-methyl-N-[(2S)-3-oxobutan-2-yl]-3-[(2S)-pyrrolidin-2-yl]propanamide;N-methylpropan-1-amine;tungsten;tungsten(2+).

What is the SMILES notation for (2R,3R)-3-methoxy-2-methyl-N-[(2S)-3-oxobutan-2-yl]-3-[(2S)-pyrrolidin-2-yl]propanamide;N-methylpropan-1-amine;tungsten;tungsten(2+)?

The canonical SMILES for (2R,3R)-3-methoxy-2-methyl-N-[(2S)-3-oxobutan-2-yl]-3-[(2S)-pyrrolidin-2-yl]propanamide;N-methylpropan-1-amine;tungsten;tungsten(2+) is [CH2-]C(=O)[C@H](C)NC(=O)[C@H](C)[C@@H](OC)[C@@H]1CCCN1.[CH2-]CCNC.[W+2].[W].

What is the InChIKey of (2R,3R)-3-methoxy-2-methyl-N-[(2S)-3-oxobutan-2-yl]-3-[(2S)-pyrrolidin-2-yl]propanamide;N-methylpropan-1-amine;tungsten;tungsten(2+)?

The InChIKey is QMQSKDMMUHVMII-PKIMEBSASA-N. The full InChI is InChI=1S/C13H23N2O3.C4H10N.2W/c1-8(13(17)15-9(2)10(3)16)12(18-4)11-6-5-7-14-11;1-3-4-5-2;;/h8-9,11-12,14H,3,5-7H2,1-2,4H3,(H,15,17);5H,1,3-4H2,2H3;;/q2*-1;;+2/t8-,9+,11+,12-;;;/m1.../s1.

What are the key properties of (2R,3R)-3-methoxy-2-methyl-N-[(2S)-3-oxobutan-2-yl]-3-[(2S)-pyrrolidin-2-yl]propanamide;N-methylpropan-1-amine;tungsten;tungsten(2+)?

(2R,3R)-3-methoxy-2-methyl-N-[(2S)-3-oxobutan-2-yl]-3-[(2S)-pyrrolidin-2-yl]propanamide;N-methylpropan-1-amine;tungsten;tungsten(2+) has a molecular weight of 695.15 g/mol, XLogP of 0.72, 8 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.

Where does this data come from?

All data for (2R,3R)-3-methoxy-2-methyl-N-[(2S)-3-oxobutan-2-yl]-3-[(2S)-pyrrolidin-2-yl]propanamide;N-methylpropan-1-amine;tungsten;tungsten(2+) is sourced from PubChem (CID 58114239), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).