(3S,5S)-1-[methoxy-[(2-methylpropan-2-yl)oxy]methyl]-5-[(2S,4S)-5-oxo-4-propan-2-yloxolan-2-yl]-3-propan-2-ylpyrrolidin-2-one

C20H35NO5 — CID 145485115

About (3S,5S)-1-[methoxy-[(2-methylpropan-2-yl)oxy]methyl]-5-[(2S,4S)-5-oxo-4-propan-2-yloxolan-2-yl]-3-propan-2-ylpyrrolidin-2-one

(3S,5S)-1-[methoxy-[(2-methylpropan-2-yl)oxy]methyl]-5-[(2S,4S)-5-oxo-4-propan-2-yloxolan-2-yl]-3-propan-2-ylpyrrolidin-2-one (PubChem CID 145485115) has the molecular formula C20H35NO5 and a molecular weight of 369.50 g/mol. Its IUPAC name is (3S,5S)-1-[methoxy-[(2-methylpropan-2-yl)oxy]methyl]-5-[(2S,4S)-5-oxo-4-propan-2-yloxolan-2-yl]-3-propan-2-ylpyrrolidin-2-one.

Molecular Properties

• Compound Name: (3S,5S)-1-[methoxy-[(2-methylpropan-2-yl)oxy]methyl]-5-[(2S,4S)-5-oxo-4-propan-2-yloxolan-2-yl]-3-propan-2-ylpyrrolidin-2-one
• PubChem CID: 145485115
• Molecular Formula: C20H35NO5
• Molecular Weight: 369.50 g/mol
• Exact Mass: 369.25
• IUPAC Name: (3S,5S)-1-[methoxy-[(2-methylpropan-2-yl)oxy]methyl]-5-[(2S,4S)-5-oxo-4-propan-2-yloxolan-2-yl]-3-propan-2-ylpyrrolidin-2-one
• SMILES: COC(OC(C)(C)C)N1C(=O)[C@H](C(C)C)C[C@H]1[C@@H]1C[C@@H](C(C)C)C(=O)O1
• InChI: InChI=1S/C20H35NO5/c1-11(2)13-9-15(16-10-14(12(3)4)18(23)25-16)21(17(13)22)19(24-8)26-20(5,6)7/h11-16,19H,9-10H2,1-8H3/t13-,14-,15-,16-,19?/m0/s1
• InChIKey: WTRLPQCRROLGAF-NOWJHIAISA-N
• XLogP: 3.19
• TPSA: 65.07 Ų
• H-Bond Acceptors: 5
• Rotatable Bonds: 6
• Heavy Atoms: 26
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	369.50
LogP ≤ 5	3.19
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	5

Computed Properties (RDKit)

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

Frequently Asked Questions

What is the IUPAC name of (3S,5S)-1-[methoxy-[(2-methylpropan-2-yl)oxy]methyl]-5-[(2S,4S)-5-oxo-4-propan-2-yloxolan-2-yl]-3-propan-2-ylpyrrolidin-2-one?

The IUPAC name of (3S,5S)-1-[methoxy-[(2-methylpropan-2-yl)oxy]methyl]-5-[(2S,4S)-5-oxo-4-propan-2-yloxolan-2-yl]-3-propan-2-ylpyrrolidin-2-one (CID 145485115) is (3S,5S)-1-[methoxy-[(2-methylpropan-2-yl)oxy]methyl]-5-[(2S,4S)-5-oxo-4-propan-2-yloxolan-2-yl]-3-propan-2-ylpyrrolidin-2-one.

What is the SMILES notation for (3S,5S)-1-[methoxy-[(2-methylpropan-2-yl)oxy]methyl]-5-[(2S,4S)-5-oxo-4-propan-2-yloxolan-2-yl]-3-propan-2-ylpyrrolidin-2-one?

The canonical SMILES for (3S,5S)-1-[methoxy-[(2-methylpropan-2-yl)oxy]methyl]-5-[(2S,4S)-5-oxo-4-propan-2-yloxolan-2-yl]-3-propan-2-ylpyrrolidin-2-one is COC(OC(C)(C)C)N1C(=O)[C@H](C(C)C)C[C@H]1[C@@H]1C[C@@H](C(C)C)C(=O)O1.

What is the InChIKey of (3S,5S)-1-[methoxy-[(2-methylpropan-2-yl)oxy]methyl]-5-[(2S,4S)-5-oxo-4-propan-2-yloxolan-2-yl]-3-propan-2-ylpyrrolidin-2-one?

The InChIKey is WTRLPQCRROLGAF-NOWJHIAISA-N. The full InChI is InChI=1S/C20H35NO5/c1-11(2)13-9-15(16-10-14(12(3)4)18(23)25-16)21(17(13)22)19(24-8)26-20(5,6)7/h11-16,19H,9-10H2,1-8H3/t13-,14-,15-,16-,19?/m0/s1.

What are the key properties of (3S,5S)-1-[methoxy-[(2-methylpropan-2-yl)oxy]methyl]-5-[(2S,4S)-5-oxo-4-propan-2-yloxolan-2-yl]-3-propan-2-ylpyrrolidin-2-one?

(3S,5S)-1-[methoxy-[(2-methylpropan-2-yl)oxy]methyl]-5-[(2S,4S)-5-oxo-4-propan-2-yloxolan-2-yl]-3-propan-2-ylpyrrolidin-2-one has a molecular weight of 369.50 g/mol, XLogP of 3.19, 6 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.

Where does this data come from?

All data for (3S,5S)-1-[methoxy-[(2-methylpropan-2-yl)oxy]methyl]-5-[(2S,4S)-5-oxo-4-propan-2-yloxolan-2-yl]-3-propan-2-ylpyrrolidin-2-one is sourced from PubChem (CID 145485115), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).