tert-butyl 3-[3-[tert-butyl(dimethyl)silyl]oxypropyl]-3-(3-methoxy-3-oxopropanoyl)pyrrolidine-1-carboxylate

C22H41NO6Si — CID 156726522

IUPACtert-butyl 3-[3-[tert-butyl(dimethyl)silyl]oxypropyl]-3-(3-methoxy-3-oxopropanoyl)pyrrolidine-1-carboxylate
SMILESCOC(=O)CC(=O)C1(CCCO[Si](C)(C)C(C)(C)C)CCN(C(=O)OC(C)(C)C)C1
InChIInChI=1S/C22H41NO6Si/c1-20(2,3)29-19(26)23-13-12-22(16-23,17(24)15-18(25)27-7)11-10-14-28-30(8,9)21(4,5)6/h10-16H2,1-9H3
InChIKeyPGEWFKDEXUZSEC-UHFFFAOYSA-N
MW443.66 g/mol
LogP4.55
Rot. Bonds8

About tert-butyl 3-[3-[tert-butyl(dimethyl)silyl]oxypropyl]-3-(3-methoxy-3-oxopropanoyl)pyrrolidine-1-carboxylate

tert-butyl 3-[3-[tert-butyl(dimethyl)silyl]oxypropyl]-3-(3-methoxy-3-oxopropanoyl)pyrrolidine-1-carboxylate (PubChem CID 156726522) has the molecular formula C22H41NO6Si and a molecular weight of 443.66 g/mol. Its IUPAC name is tert-butyl 3-[3-[tert-butyl(dimethyl)silyl]oxypropyl]-3-(3-methoxy-3-oxopropanoyl)pyrrolidine-1-carboxylate.

Molecular Properties

Compound Nametert-butyl 3-[3-[tert-butyl(dimethyl)silyl]oxypropyl]-3-(3-methoxy-3-oxopropanoyl)pyrrolidine-1-carboxylate
PubChem CID156726522
Molecular FormulaC22H41NO6Si
Molecular Weight443.66 g/mol
Exact Mass443.27
IUPAC Nametert-butyl 3-[3-[tert-butyl(dimethyl)silyl]oxypropyl]-3-(3-methoxy-3-oxopropanoyl)pyrrolidine-1-carboxylate
SMILESCOC(=O)CC(=O)C1(CCCO[Si](C)(C)C(C)(C)C)CCN(C(=O)OC(C)(C)C)C1
InChIInChI=1S/C22H41NO6Si/c1-20(2,3)29-19(26)23-13-12-22(16-23,17(24)15-18(25)27-7)11-10-14-28-30(8,9)21(4,5)6/h10-16H2,1-9H3
InChIKeyPGEWFKDEXUZSEC-UHFFFAOYSA-N
XLogP4.55
TPSA82.14 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds8
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500443.66
LogP ≤ 54.55
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'beta-keto/anhydride', 'substructure': 'N/A'}, {'alert_name': 'heavy_metal', 'substructure': 'N/A'}

Analyze tert-butyl 3-[3-[tert-butyl(dimethyl)silyl]oxypropyl]-3-(3-methoxy-3-oxopropanoyl)pyrrolidine-1-carboxylate with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

tert-butyl 4-[2-[tert-butyl(dimethyl)silyl]oxyethyl]-4-(3-methoxy-3-oxopropanoyl)piperidine-1-carboxylate
CID 175692291
1-O-tert-butyl 3-O-ethyl 3-[2-[tert-butyl(dimethyl)silyl]oxyethyl]piperidine-1,3-dicarboxylate
CID 69438814
1-[(2-methylpropan-2-yl)oxycarbonyl]-3-pent-4-enylpyrrolidine-3-carboxylic acid
CID 79426257
tert-butyl 7-[2-[tert-butyl(dimethyl)silyl]oxyethyl]-2,7-diazaspiro[3.4]octane-2-carboxylate
CID 156832842
tert-butyl 1-[2-[tert-butyl(dimethyl)silyl]oxyethyl]-1,8-diazaspiro[4.5]decane-8-carboxylate
CID 166071441
tert-butyl 4-[2-[tert-butyl(dimethyl)silyl]oxyethyl]-4-methoxypiperidine-1-carboxylate;methane;2-(1-methoxycyclohexyl)ethanol
CID 158161836
1-O-tert-butyl 3-O-methyl 3-(3-hydroxypropyl)pyrrolidine-1,3-dicarboxylate;1-O-tert-butyl 3-O-methyl 3-(3-methoxypropyl)pyrrolidine-1,3-dicarboxylate;1-O-tert-butyl 3-O-methyl 3-prop-2-enylpyrrolidine-1,3-dicarboxylate;methane
CID 159476747
tert-butyl 3-(aminooxymethyl)-3-hydroxypyrrolidine-1-carboxylate
CID 105490874
tert-butyl 3,3-dimethoxypyrrolidine-1-carboxylate;methanol
CID 156848744
3-but-3-ynyl-1-[(2-methylpropan-2-yl)oxycarbonyl]pyrrolidine-3-carboxylic acid
CID 79426039
tert-butyl 3-carbonochloridoyl-3-(cyclopropylmethyl)pyrrolidine-1-carboxylate
CID 59569583
3-(2-cyclopropylethyl)-1-[(2-methylpropan-2-yl)oxycarbonyl]pyrrolidine-3-carboxylic acid
CID 79425073

Frequently Asked Questions

What is the IUPAC name of tert-butyl 3-[3-[tert-butyl(dimethyl)silyl]oxypropyl]-3-(3-methoxy-3-oxopropanoyl)pyrrolidine-1-carboxylate?
The IUPAC name of tert-butyl 3-[3-[tert-butyl(dimethyl)silyl]oxypropyl]-3-(3-methoxy-3-oxopropanoyl)pyrrolidine-1-carboxylate (CID 156726522) is tert-butyl 3-[3-[tert-butyl(dimethyl)silyl]oxypropyl]-3-(3-methoxy-3-oxopropanoyl)pyrrolidine-1-carboxylate.
What is the SMILES notation for tert-butyl 3-[3-[tert-butyl(dimethyl)silyl]oxypropyl]-3-(3-methoxy-3-oxopropanoyl)pyrrolidine-1-carboxylate?
The canonical SMILES for tert-butyl 3-[3-[tert-butyl(dimethyl)silyl]oxypropyl]-3-(3-methoxy-3-oxopropanoyl)pyrrolidine-1-carboxylate is COC(=O)CC(=O)C1(CCCO[Si](C)(C)C(C)(C)C)CCN(C(=O)OC(C)(C)C)C1.
What is the InChIKey of tert-butyl 3-[3-[tert-butyl(dimethyl)silyl]oxypropyl]-3-(3-methoxy-3-oxopropanoyl)pyrrolidine-1-carboxylate?
The InChIKey is PGEWFKDEXUZSEC-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H41NO6Si/c1-20(2,3)29-19(26)23-13-12-22(16-23,17(24)15-18(25)27-7)11-10-14-28-30(8,9)21(4,5)6/h10-16H2,1-9H3.
What are the key properties of tert-butyl 3-[3-[tert-butyl(dimethyl)silyl]oxypropyl]-3-(3-methoxy-3-oxopropanoyl)pyrrolidine-1-carboxylate?
tert-butyl 3-[3-[tert-butyl(dimethyl)silyl]oxypropyl]-3-(3-methoxy-3-oxopropanoyl)pyrrolidine-1-carboxylate has a molecular weight of 443.66 g/mol, XLogP of 4.55, 8 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl 3-[3-[tert-butyl(dimethyl)silyl]oxypropyl]-3-(3-methoxy-3-oxopropanoyl)pyrrolidine-1-carboxylate is sourced from PubChem (CID 156726522), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).