tert-butyl (2R,3R)-2-[(S)-[(4R)-2,2-dimethyl-1,3-dioxolan-4-yl]-trimethylsilyloxymethyl]-3-methyl-5-oxopyrrolidine-1-carboxylate

About tert-butyl (2R,3R)-2-[(S)-[(4R)-2,2-dimethyl-1,3-dioxolan-4-yl]-trimethylsilyloxymethyl]-3-methyl-5-oxopyrrolidine-1-carboxylate

tert-butyl (2R,3R)-2-[(S)-[(4R)-2,2-dimethyl-1,3-dioxolan-4-yl]-trimethylsilyloxymethyl]-3-methyl-5-oxopyrrolidine-1-carboxylate (PubChem CID 23256024) has the molecular formula C19H35NO6Si and a molecular weight of 401.58 g/mol. Its IUPAC name is tert-butyl (2R,3R)-2-[(S)-[(4R)-2,2-dimethyl-1,3-dioxolan-4-yl]-trimethylsilyloxymethyl]-3-methyl-5-oxopyrrolidine-1-carboxylate.

Molecular Properties

Compound Name	tert-butyl (2R,3R)-2-[(S)-[(4R)-2,2-dimethyl-1,3-dioxolan-4-yl]-trimethylsilyloxymethyl]-3-methyl-5-oxopyrrolidine-1-carboxylate
PubChem CID	23256024
Molecular Formula	C19H35NO6Si
Molecular Weight	401.58 g/mol
Exact Mass	401.22
IUPAC Name	tert-butyl (2R,3R)-2-[(S)-[(4R)-2,2-dimethyl-1,3-dioxolan-4-yl]-trimethylsilyloxymethyl]-3-methyl-5-oxopyrrolidine-1-carboxylate
SMILES	C[C@@H]1CC(=O)N(C(=O)OC(C)(C)C)[C@H]1[C@H](O[Si](C)(C)C)[C@H]1COC(C)(C)O1
InChI	InChI=1S/C19H35NO6Si/c1-12-10-14(21)20(17(22)25-18(2,3)4)15(12)16(26-27(7,8)9)13-11-23-19(5,6)24-13/h12-13,15-16H,10-11H2,1-9H3/t12-,13-,15-,16-/m1/s1
InChIKey	KFNBRXWLLSRRPR-RRCSTGOVSA-N
XLogP	3.53
TPSA	74.30 Å²
H-Bond Donors
H-Bond Acceptors	6
Rotatable Bonds	4
Heavy Atoms	27
Complexity	—

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	401.58
LogP ≤ 5	3.53
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	6

Computed Properties (RDKit)

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

Related Compounds

Frequently Asked Questions

What is the IUPAC name of tert-butyl (2R,3R)-2-[(S)-[(4R)-2,2-dimethyl-1,3-dioxolan-4-yl]-trimethylsilyloxymethyl]-3-methyl-5-oxopyrrolidine-1-carboxylate?

The IUPAC name of tert-butyl (2R,3R)-2-[(S)-[(4R)-2,2-dimethyl-1,3-dioxolan-4-yl]-trimethylsilyloxymethyl]-3-methyl-5-oxopyrrolidine-1-carboxylate (CID 23256024) is tert-butyl (2R,3R)-2-[(S)-[(4R)-2,2-dimethyl-1,3-dioxolan-4-yl]-trimethylsilyloxymethyl]-3-methyl-5-oxopyrrolidine-1-carboxylate.

What is the SMILES notation for tert-butyl (2R,3R)-2-[(S)-[(4R)-2,2-dimethyl-1,3-dioxolan-4-yl]-trimethylsilyloxymethyl]-3-methyl-5-oxopyrrolidine-1-carboxylate?

The canonical SMILES for tert-butyl (2R,3R)-2-[(S)-[(4R)-2,2-dimethyl-1,3-dioxolan-4-yl]-trimethylsilyloxymethyl]-3-methyl-5-oxopyrrolidine-1-carboxylate is C[C@@H]1CC(=O)N(C(=O)OC(C)(C)C)[C@H]1[C@H](O[Si](C)(C)C)[C@H]1COC(C)(C)O1.

What is the InChIKey of tert-butyl (2R,3R)-2-[(S)-[(4R)-2,2-dimethyl-1,3-dioxolan-4-yl]-trimethylsilyloxymethyl]-3-methyl-5-oxopyrrolidine-1-carboxylate?

The InChIKey is KFNBRXWLLSRRPR-RRCSTGOVSA-N. The full InChI is InChI=1S/C19H35NO6Si/c1-12-10-14(21)20(17(22)25-18(2,3)4)15(12)16(26-27(7,8)9)13-11-23-19(5,6)24-13/h12-13,15-16H,10-11H2,1-9H3/t12-,13-,15-,16-/m1/s1.

What are the key properties of tert-butyl (2R,3R)-2-[(S)-[(4R)-2,2-dimethyl-1,3-dioxolan-4-yl]-trimethylsilyloxymethyl]-3-methyl-5-oxopyrrolidine-1-carboxylate?

tert-butyl (2R,3R)-2-[(S)-[(4R)-2,2-dimethyl-1,3-dioxolan-4-yl]-trimethylsilyloxymethyl]-3-methyl-5-oxopyrrolidine-1-carboxylate has a molecular weight of 401.58 g/mol, XLogP of 3.53, 4 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.

Where does this data come from?

All data for tert-butyl (2R,3R)-2-[(S)-[(4R)-2,2-dimethyl-1,3-dioxolan-4-yl]-trimethylsilyloxymethyl]-3-methyl-5-oxopyrrolidine-1-carboxylate is sourced from PubChem (CID 23256024), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).