(2R,4S)-1-benzyl-4-[tert-butyl(dimethyl)silyl]oxypyrrolidine-2-carboxylic acid

C18H29NO3Si — CID 175140102

IUPAC(2R,4S)-1-benzyl-4-[tert-butyl(dimethyl)silyl]oxypyrrolidine-2-carboxylic acid
SMILESCC(C)(C)[Si](C)(C)O[C@H]1C[C@H](C(=O)O)N(Cc2ccccc2)C1
InChIInChI=1S/C18H29NO3Si/c1-18(2,3)23(4,5)22-15-11-16(17(20)21)19(13-15)12-14-9-7-6-8-10-14/h6-10,15-16H,11-13H2,1-5H3,(H,20,21)/t15-,16+/m0/s1
InChIKeySTTQFRBUZRJOPW-JKSUJKDBSA-N
MW335.52 g/mol
LogP3.74
Rot. Bonds5

About (2R,4S)-1-benzyl-4-[tert-butyl(dimethyl)silyl]oxypyrrolidine-2-carboxylic acid

(2R,4S)-1-benzyl-4-[tert-butyl(dimethyl)silyl]oxypyrrolidine-2-carboxylic acid (PubChem CID 175140102) has the molecular formula C18H29NO3Si and a molecular weight of 335.52 g/mol. Its IUPAC name is (2R,4S)-1-benzyl-4-[tert-butyl(dimethyl)silyl]oxypyrrolidine-2-carboxylic acid.

Molecular Properties

Compound Name(2R,4S)-1-benzyl-4-[tert-butyl(dimethyl)silyl]oxypyrrolidine-2-carboxylic acid
PubChem CID175140102
Molecular FormulaC18H29NO3Si
Molecular Weight335.52 g/mol
Exact Mass335.19
IUPAC Name(2R,4S)-1-benzyl-4-[tert-butyl(dimethyl)silyl]oxypyrrolidine-2-carboxylic acid
SMILESCC(C)(C)[Si](C)(C)O[C@H]1C[C@H](C(=O)O)N(Cc2ccccc2)C1
InChIInChI=1S/C18H29NO3Si/c1-18(2,3)23(4,5)22-15-11-16(17(20)21)19(13-15)12-14-9-7-6-8-10-14/h6-10,15-16H,11-13H2,1-5H3,(H,20,21)/t15-,16+/m0/s1
InChIKeySTTQFRBUZRJOPW-JKSUJKDBSA-N
XLogP3.74
TPSA49.77 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500335.52
LogP ≤ 53.74
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

1-benzyl-4-[tert-butyl(dimethyl)silyl]oxypyrrolidine-2-carboxylic acid
CID 67033582
ethyl (2S,4R)-1-benzyl-4-[tert-butyl(dimethyl)silyl]oxypyrrolidine-2-carboxylate
CID 23248578
[(3R,5R)-1-benzyl-5-methylpyrrolidin-3-yl]oxy-tert-butyl-dimethylsilane
CID 139674628
(1-benzyl-5-methylpyrrolidin-3-yl)oxy-tert-butyl-dimethylsilane
CID 152571898
[(3R,5R)-1-benzyl-5-[(5-methyl-1H-pyrazol-3-yl)methyl]pyrrolidin-3-yl]oxy-tert-butyl-dimethylsilane
CID 67752095
tert-butyl 2-[(3S,5R)-1-benzyl-5-[tert-butyl(dimethyl)silyl]oxypiperidin-3-yl]acetate
CID 58303355
tert-butyl-[(1,2-dibenzyl-1,4-diazepan-6-yl)oxy]-dimethylsilane
CID 153402327
tert-butyl 9-benzyl-7-[tert-butyl(dimethyl)silyl]oxy-3,9-diazabicyclo[3.3.1]nonane-3-carboxylate
CID 170947422
[(1S,5R)-8-benzyl-8-azabicyclo[3.2.1]oct-6-en-3-yl]oxy-tert-butyl-dimethylsilane
CID 102324960
[(3R,5R)-1-benzyl-5-[(4-bromo-1-methylpyrazol-5-yl)methyl]pyrrolidin-3-yl]oxy-tert-butyl-dimethylsilane
CID 139716813
methyl (3S)-1-benzyl-6-[tert-butyl(dimethyl)silyl]oxy-2,5-dimethylazepane-3-carboxylate
CID 174069006
N-[(3S,4R,5R)-1-benzyl-4-[tert-butyl(dimethyl)silyl]oxy-5-formylpyrrolidin-3-yl]acetamide
CID 90061343

Frequently Asked Questions

What is the IUPAC name of (2R,4S)-1-benzyl-4-[tert-butyl(dimethyl)silyl]oxypyrrolidine-2-carboxylic acid?
The IUPAC name of (2R,4S)-1-benzyl-4-[tert-butyl(dimethyl)silyl]oxypyrrolidine-2-carboxylic acid (CID 175140102) is (2R,4S)-1-benzyl-4-[tert-butyl(dimethyl)silyl]oxypyrrolidine-2-carboxylic acid.
What is the SMILES notation for (2R,4S)-1-benzyl-4-[tert-butyl(dimethyl)silyl]oxypyrrolidine-2-carboxylic acid?
The canonical SMILES for (2R,4S)-1-benzyl-4-[tert-butyl(dimethyl)silyl]oxypyrrolidine-2-carboxylic acid is CC(C)(C)[Si](C)(C)O[C@H]1C[C@H](C(=O)O)N(Cc2ccccc2)C1.
What is the InChIKey of (2R,4S)-1-benzyl-4-[tert-butyl(dimethyl)silyl]oxypyrrolidine-2-carboxylic acid?
The InChIKey is STTQFRBUZRJOPW-JKSUJKDBSA-N. The full InChI is InChI=1S/C18H29NO3Si/c1-18(2,3)23(4,5)22-15-11-16(17(20)21)19(13-15)12-14-9-7-6-8-10-14/h6-10,15-16H,11-13H2,1-5H3,(H,20,21)/t15-,16+/m0/s1.
What are the key properties of (2R,4S)-1-benzyl-4-[tert-butyl(dimethyl)silyl]oxypyrrolidine-2-carboxylic acid?
(2R,4S)-1-benzyl-4-[tert-butyl(dimethyl)silyl]oxypyrrolidine-2-carboxylic acid has a molecular weight of 335.52 g/mol, XLogP of 3.74, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2R,4S)-1-benzyl-4-[tert-butyl(dimethyl)silyl]oxypyrrolidine-2-carboxylic acid is sourced from PubChem (CID 175140102), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).