methyl 1-benzyl-4-[1-[tert-butyl(dimethyl)silyl]oxypropan-2-yl]pyrrolidine-3-carboxylate

C22H37NO3Si — CID 69172773

IUPACmethyl 1-benzyl-4-[1-[tert-butyl(dimethyl)silyl]oxypropan-2-yl]pyrrolidine-3-carboxylate
SMILESCOC(=O)C1CN(Cc2ccccc2)CC1C(C)CO[Si](C)(C)C(C)(C)C
InChIInChI=1S/C22H37NO3Si/c1-17(16-26-27(6,7)22(2,3)4)19-14-23(15-20(19)21(24)25-5)13-18-11-9-8-10-12-18/h8-12,17,19-20H,13-16H2,1-7H3
InChIKeyKVNGYOPIABOXCW-UHFFFAOYSA-N
MW391.63 g/mol
LogP4.57
Rot. Bonds7

About methyl 1-benzyl-4-[1-[tert-butyl(dimethyl)silyl]oxypropan-2-yl]pyrrolidine-3-carboxylate

methyl 1-benzyl-4-[1-[tert-butyl(dimethyl)silyl]oxypropan-2-yl]pyrrolidine-3-carboxylate (PubChem CID 69172773) has the molecular formula C22H37NO3Si and a molecular weight of 391.63 g/mol. Its IUPAC name is methyl 1-benzyl-4-[1-[tert-butyl(dimethyl)silyl]oxypropan-2-yl]pyrrolidine-3-carboxylate.

Molecular Properties

Compound Namemethyl 1-benzyl-4-[1-[tert-butyl(dimethyl)silyl]oxypropan-2-yl]pyrrolidine-3-carboxylate
PubChem CID69172773
Molecular FormulaC22H37NO3Si
Molecular Weight391.63 g/mol
Exact Mass391.25
IUPAC Namemethyl 1-benzyl-4-[1-[tert-butyl(dimethyl)silyl]oxypropan-2-yl]pyrrolidine-3-carboxylate
SMILESCOC(=O)C1CN(Cc2ccccc2)CC1C(C)CO[Si](C)(C)C(C)(C)C
InChIInChI=1S/C22H37NO3Si/c1-17(16-26-27(6,7)22(2,3)4)19-14-23(15-20(19)21(24)25-5)13-18-11-9-8-10-12-18/h8-12,17,19-20H,13-16H2,1-7H3
InChIKeyKVNGYOPIABOXCW-UHFFFAOYSA-N
XLogP4.57
TPSA38.77 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500391.63
LogP ≤ 54.57
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

Analyze methyl 1-benzyl-4-[1-[tert-butyl(dimethyl)silyl]oxypropan-2-yl]pyrrolidine-3-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

ethyl 1-benzyl-4-propan-2-ylpyrrolidine-3-carboxylate
CID 57304770
methyl 1-benzyl-4-[(2-methylpropan-2-yl)oxycarbonylcarbamoyl]pyrrolidine-3-carboxylate
CID 129317518
methyl (3R,4R)-1-benzyl-4-[(2-methylpropan-2-yl)oxycarbonylamino]pyrrolidine-3-carboxylate
CID 67801118
1-(4-benzylpiperazin-1-yl)-3-[tert-butyl(dimethyl)silyl]oxypropan-2-ol
CID 171484955
(3S,4R)-1-benzyl-4-propan-2-ylpyrrolidine-3-carboxylic acid;hydrochloride
CID 67998457
methyl (3S,4R)-1-benzyl-4-[6-[(3R)-3-[[tert-butyl(dimethyl)silyl]oxymethyl]pyrrolidin-1-yl]-2-fluoro-3-pyridinyl]pyrrolidine-3-carboxylate
CID 99768760
methyl 1-benzyl-4-(2-phenylethyl)pyrrolidine-3-carboxylate
CID 68912699
tert-butyl N-[1-(1-benzyl-4-methylpyrrolidin-3-yl)ethyl]carbamate
CID 69076839
methyl (3R,4S)-1-benzyl-4-hydroxypiperidine-3-carboxylate
CID 86328839
methyl (3S,4S)-1-benzyl-4-hydroxypiperidine-3-carboxylate
CID 54043157
tert-butyl-[(1,4-dibenzylpyrrolidin-3-yl)methoxy]-dimethylsilane
CID 69177639
methyl (3S,4R)-1-benzyl-4-(2-methylphenyl)pyrrolidine-3-carboxylate
CID 59563644

Frequently Asked Questions

What is the IUPAC name of methyl 1-benzyl-4-[1-[tert-butyl(dimethyl)silyl]oxypropan-2-yl]pyrrolidine-3-carboxylate?
The IUPAC name of methyl 1-benzyl-4-[1-[tert-butyl(dimethyl)silyl]oxypropan-2-yl]pyrrolidine-3-carboxylate (CID 69172773) is methyl 1-benzyl-4-[1-[tert-butyl(dimethyl)silyl]oxypropan-2-yl]pyrrolidine-3-carboxylate.
What is the SMILES notation for methyl 1-benzyl-4-[1-[tert-butyl(dimethyl)silyl]oxypropan-2-yl]pyrrolidine-3-carboxylate?
The canonical SMILES for methyl 1-benzyl-4-[1-[tert-butyl(dimethyl)silyl]oxypropan-2-yl]pyrrolidine-3-carboxylate is COC(=O)C1CN(Cc2ccccc2)CC1C(C)CO[Si](C)(C)C(C)(C)C.
What is the InChIKey of methyl 1-benzyl-4-[1-[tert-butyl(dimethyl)silyl]oxypropan-2-yl]pyrrolidine-3-carboxylate?
The InChIKey is KVNGYOPIABOXCW-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H37NO3Si/c1-17(16-26-27(6,7)22(2,3)4)19-14-23(15-20(19)21(24)25-5)13-18-11-9-8-10-12-18/h8-12,17,19-20H,13-16H2,1-7H3.
What are the key properties of methyl 1-benzyl-4-[1-[tert-butyl(dimethyl)silyl]oxypropan-2-yl]pyrrolidine-3-carboxylate?
methyl 1-benzyl-4-[1-[tert-butyl(dimethyl)silyl]oxypropan-2-yl]pyrrolidine-3-carboxylate has a molecular weight of 391.63 g/mol, XLogP of 4.57, 7 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 1-benzyl-4-[1-[tert-butyl(dimethyl)silyl]oxypropan-2-yl]pyrrolidine-3-carboxylate is sourced from PubChem (CID 69172773), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).