methyl 1-benzyl-4-[2-methyl-1,1-bis(methylsilyloxy)propan-2-yl]pyrrolidine-2-carboxylate

C19H33NO4Si2 — CID 173345514

IUPACmethyl 1-benzyl-4-[2-methyl-1,1-bis(methylsilyloxy)propan-2-yl]pyrrolidine-2-carboxylate
SMILESCOC(=O)C1CC(C(C)(C)C(O[SiH2]C)O[SiH2]C)CN1Cc1ccccc1
InChIInChI=1S/C19H33NO4Si2/c1-19(2,18(23-25-4)24-26-5)15-11-16(17(21)22-3)20(13-15)12-14-9-7-6-8-10-14/h6-10,15-16,18H,11-13,25-26H2,1-5H3
InChIKeyYAOAYZANRFTOLK-UHFFFAOYSA-N
MW395.65 g/mol
LogP1.70
Rot. Bonds9

About methyl 1-benzyl-4-[2-methyl-1,1-bis(methylsilyloxy)propan-2-yl]pyrrolidine-2-carboxylate

methyl 1-benzyl-4-[2-methyl-1,1-bis(methylsilyloxy)propan-2-yl]pyrrolidine-2-carboxylate (PubChem CID 173345514) has the molecular formula C19H33NO4Si2 and a molecular weight of 395.65 g/mol. Its IUPAC name is methyl 1-benzyl-4-[2-methyl-1,1-bis(methylsilyloxy)propan-2-yl]pyrrolidine-2-carboxylate.

Molecular Properties

Compound Namemethyl 1-benzyl-4-[2-methyl-1,1-bis(methylsilyloxy)propan-2-yl]pyrrolidine-2-carboxylate
PubChem CID173345514
Molecular FormulaC19H33NO4Si2
Molecular Weight395.65 g/mol
Exact Mass395.19
IUPAC Namemethyl 1-benzyl-4-[2-methyl-1,1-bis(methylsilyloxy)propan-2-yl]pyrrolidine-2-carboxylate
SMILESCOC(=O)C1CC(C(C)(C)C(O[SiH2]C)O[SiH2]C)CN1Cc1ccccc1
InChIInChI=1S/C19H33NO4Si2/c1-19(2,18(23-25-4)24-26-5)15-11-16(17(21)22-3)20(13-15)12-14-9-7-6-8-10-14/h6-10,15-16,18H,11-13,25-26H2,1-5H3
InChIKeyYAOAYZANRFTOLK-UHFFFAOYSA-N
XLogP1.70
TPSA48.00 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds9
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500395.65
LogP ≤ 51.70
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

dimethyl (2S,4R)-1-benzylazetidine-2,4-dicarboxylate
CID 14654381
methyl (2S,4S)-4-acetyl-1-benzylpyrrolidine-2-carboxylate
CID 129390617
(2R,4S)-1-benzyl-4-methoxycarbonylazetidine-2-carboxylic acid
CID 69447000
methyl (2S)-1-benzylazetidine-2-carboxylate
CID 12727480
methyl (2R)-1-benzylazetidine-2-carboxylate
CID 10976617
(2S,4R)-1-benzyl-4-(trifluoromethyl)pyrrolidine-2-carboxylic acid
CID 175883801
(2R,4R)-1-benzyl-4-methoxycarbonylazetidine-2-carboxylate
CID 71445283
4-[(4-hydroxy-2-methoxycarbonylpyrrolidin-1-yl)methyl]benzoic acid
CID 115971503
tert-butyl 1-benzylaziridine-2-carboxylate
CID 14666509
methyl (2S,4R)-1-benzyl-4-[[4-(trifluoromethyl)benzoyl]amino]pyrrolidine-2-carboxylate
CID 118756224
methyl 1-benzylpyrrolidine-2-carboxylate
CID 562947
methyl 1-benzylpiperidine-2-carboxylate
CID 10443988

Frequently Asked Questions

What is the IUPAC name of methyl 1-benzyl-4-[2-methyl-1,1-bis(methylsilyloxy)propan-2-yl]pyrrolidine-2-carboxylate?
The IUPAC name of methyl 1-benzyl-4-[2-methyl-1,1-bis(methylsilyloxy)propan-2-yl]pyrrolidine-2-carboxylate (CID 173345514) is methyl 1-benzyl-4-[2-methyl-1,1-bis(methylsilyloxy)propan-2-yl]pyrrolidine-2-carboxylate.
What is the SMILES notation for methyl 1-benzyl-4-[2-methyl-1,1-bis(methylsilyloxy)propan-2-yl]pyrrolidine-2-carboxylate?
The canonical SMILES for methyl 1-benzyl-4-[2-methyl-1,1-bis(methylsilyloxy)propan-2-yl]pyrrolidine-2-carboxylate is COC(=O)C1CC(C(C)(C)C(O[SiH2]C)O[SiH2]C)CN1Cc1ccccc1.
What is the InChIKey of methyl 1-benzyl-4-[2-methyl-1,1-bis(methylsilyloxy)propan-2-yl]pyrrolidine-2-carboxylate?
The InChIKey is YAOAYZANRFTOLK-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H33NO4Si2/c1-19(2,18(23-25-4)24-26-5)15-11-16(17(21)22-3)20(13-15)12-14-9-7-6-8-10-14/h6-10,15-16,18H,11-13,25-26H2,1-5H3.
What are the key properties of methyl 1-benzyl-4-[2-methyl-1,1-bis(methylsilyloxy)propan-2-yl]pyrrolidine-2-carboxylate?
methyl 1-benzyl-4-[2-methyl-1,1-bis(methylsilyloxy)propan-2-yl]pyrrolidine-2-carboxylate has a molecular weight of 395.65 g/mol, XLogP of 1.70, 9 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 1-benzyl-4-[2-methyl-1,1-bis(methylsilyloxy)propan-2-yl]pyrrolidine-2-carboxylate is sourced from PubChem (CID 173345514), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).