tert-butyl (3S)-3-[(R)-hydroxy-[(2S,4R)-4-hydroxy-1-[(2-methylpropan-2-yl)oxycarbonyl]pyrrolidin-2-yl]methyl]-2-oxopyrrolidine-1-carboxylate

C19H32N2O7 — CID 12987482

About tert-butyl (3S)-3-[(R)-hydroxy-[(2S,4R)-4-hydroxy-1-[(2-methylpropan-2-yl)oxycarbonyl]pyrrolidin-2-yl]methyl]-2-oxopyrrolidine-1-carboxylate

tert-butyl (3S)-3-[(R)-hydroxy-[(2S,4R)-4-hydroxy-1-[(2-methylpropan-2-yl)oxycarbonyl]pyrrolidin-2-yl]methyl]-2-oxopyrrolidine-1-carboxylate (PubChem CID 12987482) has the molecular formula C19H32N2O7 and a molecular weight of 400.47 g/mol. Its IUPAC name is tert-butyl (3S)-3-[(R)-hydroxy-[(2S,4R)-4-hydroxy-1-[(2-methylpropan-2-yl)oxycarbonyl]pyrrolidin-2-yl]methyl]-2-oxopyrrolidine-1-carboxylate.

Molecular Properties

• Compound Name: tert-butyl (3S)-3-[(R)-hydroxy-[(2S,4R)-4-hydroxy-1-[(2-methylpropan-2-yl)oxycarbonyl]pyrrolidin-2-yl]methyl]-2-oxopyrrolidine-1-carboxylate
• PubChem CID: 12987482
• Molecular Formula: C19H32N2O7
• Molecular Weight: 400.47 g/mol
• Exact Mass: 400.22
• IUPAC Name: tert-butyl (3S)-3-[(R)-hydroxy-[(2S,4R)-4-hydroxy-1-[(2-methylpropan-2-yl)oxycarbonyl]pyrrolidin-2-yl]methyl]-2-oxopyrrolidine-1-carboxylate
• SMILES: CC(C)(C)OC(=O)N1CC[C@@H]([C@@H](O)[C@@H]2C[C@@H](O)CN2C(=O)OC(C)(C)C)C1=O
• InChI: InChI=1S/C19H32N2O7/c1-18(2,3)27-16(25)20-8-7-12(15(20)24)14(23)13-9-11(22)10-21(13)17(26)28-19(4,5)6/h11-14,22-23H,7-10H2,1-6H3/t11-,12+,13+,14-/m1/s1
• InChIKey: GMPZIMDKNTUTAV-ZOBORPQBSA-N
• XLogP: 1.50
• TPSA: 116.61 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 7
• Rotatable Bonds: 2
• Heavy Atoms: 28
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	400.47
LogP ≤ 5	1.50
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	7

Frequently Asked Questions

What is the IUPAC name of tert-butyl (3S)-3-[(R)-hydroxy-[(2S,4R)-4-hydroxy-1-[(2-methylpropan-2-yl)oxycarbonyl]pyrrolidin-2-yl]methyl]-2-oxopyrrolidine-1-carboxylate?

The IUPAC name of tert-butyl (3S)-3-[(R)-hydroxy-[(2S,4R)-4-hydroxy-1-[(2-methylpropan-2-yl)oxycarbonyl]pyrrolidin-2-yl]methyl]-2-oxopyrrolidine-1-carboxylate (CID 12987482) is tert-butyl (3S)-3-[(R)-hydroxy-[(2S,4R)-4-hydroxy-1-[(2-methylpropan-2-yl)oxycarbonyl]pyrrolidin-2-yl]methyl]-2-oxopyrrolidine-1-carboxylate.

What is the SMILES notation for tert-butyl (3S)-3-[(R)-hydroxy-[(2S,4R)-4-hydroxy-1-[(2-methylpropan-2-yl)oxycarbonyl]pyrrolidin-2-yl]methyl]-2-oxopyrrolidine-1-carboxylate?

The canonical SMILES for tert-butyl (3S)-3-[(R)-hydroxy-[(2S,4R)-4-hydroxy-1-[(2-methylpropan-2-yl)oxycarbonyl]pyrrolidin-2-yl]methyl]-2-oxopyrrolidine-1-carboxylate is CC(C)(C)OC(=O)N1CC[C@@H]([C@@H](O)[C@@H]2C[C@@H](O)CN2C(=O)OC(C)(C)C)C1=O.

What is the InChIKey of tert-butyl (3S)-3-[(R)-hydroxy-[(2S,4R)-4-hydroxy-1-[(2-methylpropan-2-yl)oxycarbonyl]pyrrolidin-2-yl]methyl]-2-oxopyrrolidine-1-carboxylate?

The InChIKey is GMPZIMDKNTUTAV-ZOBORPQBSA-N. The full InChI is InChI=1S/C19H32N2O7/c1-18(2,3)27-16(25)20-8-7-12(15(20)24)14(23)13-9-11(22)10-21(13)17(26)28-19(4,5)6/h11-14,22-23H,7-10H2,1-6H3/t11-,12+,13+,14-/m1/s1.

What are the key properties of tert-butyl (3S)-3-[(R)-hydroxy-[(2S,4R)-4-hydroxy-1-[(2-methylpropan-2-yl)oxycarbonyl]pyrrolidin-2-yl]methyl]-2-oxopyrrolidine-1-carboxylate?

tert-butyl (3S)-3-[(R)-hydroxy-[(2S,4R)-4-hydroxy-1-[(2-methylpropan-2-yl)oxycarbonyl]pyrrolidin-2-yl]methyl]-2-oxopyrrolidine-1-carboxylate has a molecular weight of 400.47 g/mol, XLogP of 1.50, 2 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.

Where does this data come from?

All data for tert-butyl (3S)-3-[(R)-hydroxy-[(2S,4R)-4-hydroxy-1-[(2-methylpropan-2-yl)oxycarbonyl]pyrrolidin-2-yl]methyl]-2-oxopyrrolidine-1-carboxylate is sourced from PubChem (CID 12987482), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).