(2R,5R)-5-[tert-butyl(dimethyl)silyl]oxy-2-(hydroxymethyl)piperidine-1-carboxylic acid

C13H27NO4Si — CID 66844757

IUPAC(2R,5R)-5-[tert-butyl(dimethyl)silyl]oxy-2-(hydroxymethyl)piperidine-1-carboxylic acid
SMILESCC(C)(C)[Si](C)(C)O[C@@H]1CC[C@H](CO)N(C(=O)O)C1
InChIInChI=1S/C13H27NO4Si/c1-13(2,3)19(4,5)18-11-7-6-10(9-15)14(8-11)12(16)17/h10-11,15H,6-9H2,1-5H3,(H,16,17)/t10-,11-/m1/s1
InChIKeyBIPZPGPPBRZKFQ-GHMZBOCLSA-N
MW289.45 g/mol
LogP2.51
Rot. Bonds3

About (2R,5R)-5-[tert-butyl(dimethyl)silyl]oxy-2-(hydroxymethyl)piperidine-1-carboxylic acid

(2R,5R)-5-[tert-butyl(dimethyl)silyl]oxy-2-(hydroxymethyl)piperidine-1-carboxylic acid (PubChem CID 66844757) has the molecular formula C13H27NO4Si and a molecular weight of 289.45 g/mol. Its IUPAC name is (2R,5R)-5-[tert-butyl(dimethyl)silyl]oxy-2-(hydroxymethyl)piperidine-1-carboxylic acid.

Molecular Properties

Compound Name(2R,5R)-5-[tert-butyl(dimethyl)silyl]oxy-2-(hydroxymethyl)piperidine-1-carboxylic acid
PubChem CID66844757
Molecular FormulaC13H27NO4Si
Molecular Weight289.45 g/mol
Exact Mass289.17
IUPAC Name(2R,5R)-5-[tert-butyl(dimethyl)silyl]oxy-2-(hydroxymethyl)piperidine-1-carboxylic acid
SMILESCC(C)(C)[Si](C)(C)O[C@@H]1CC[C@H](CO)N(C(=O)O)C1
InChIInChI=1S/C13H27NO4Si/c1-13(2,3)19(4,5)18-11-7-6-10(9-15)14(8-11)12(16)17/h10-11,15H,6-9H2,1-5H3,(H,16,17)/t10-,11-/m1/s1
InChIKeyBIPZPGPPBRZKFQ-GHMZBOCLSA-N
XLogP2.51
TPSA70.00 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500289.45
LogP ≤ 52.51
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

(2S,4R)-4-[tert-butyl(dimethyl)silyl]oxy-2-(methoxymethyl)pyrrolidine-1-carboxylic acid
CID 69007279
1-[4-[tert-butyl(dimethyl)silyl]oxy-2-(hydroxymethyl)pyrrolidin-1-yl]-2,2,2-trifluoroethanone
CID 87828484
[(2S,4S)-4-[tert-butyl(dimethyl)silyl]oxy-1-methylpyrrolidin-2-yl]methanol
CID 145222779
(2R,4S)-4-[tert-butyl(dimethyl)silyl]oxy-2-(3-phenoxypropoxymethyl)pyrrolidine-1-carboxylic acid
CID 68992350
(2S,4R)-4-[tert-butyl(dimethyl)silyl]oxy-2-[(E)-3-ethoxy-3-oxoprop-1-enyl]pyrrolidine-1-carboxylic acid
CID 69023417
(2S,4R)-4-[tert-butyl(dimethyl)silyl]oxy-2-(3-ethoxy-3-oxoprop-1-enyl)pyrrolidine-1-carboxylic acid
CID 69023421
(2S,4R)-4-[tert-butyl(diphenyl)silyl]oxy-2-(hydroxymethyl)pyrrolidine-1-carboxylic acid
CID 70976300
(2S,4R)-4-[tert-butyl(dimethyl)silyl]oxypiperidine-1,2-dicarboxylic acid
CID 90782508
tert-butyl (2S,4R)-2-(bromomethyl)-4-[tert-butyl(dimethyl)silyl]oxypyrrolidine-1-carboxylate
CID 45026939
2-[4-[tert-butyl(dimethyl)silyl]oxycyclohexyl]acetic acid
CID 86587109
prop-2-enyl 4-[tert-butyl(dimethyl)silyl]oxy-2-[(2R)-2-hydroxypropyl]pyrrolidine-1-carboxylate
CID 67752118
tert-butyl (2R,4R)-4-[tert-butyl(dimethyl)silyl]oxy-2-(ethylsulfonyloxymethyl)pyrrolidine-1-carboxylate
CID 155904410

Frequently Asked Questions

What is the IUPAC name of (2R,5R)-5-[tert-butyl(dimethyl)silyl]oxy-2-(hydroxymethyl)piperidine-1-carboxylic acid?
The IUPAC name of (2R,5R)-5-[tert-butyl(dimethyl)silyl]oxy-2-(hydroxymethyl)piperidine-1-carboxylic acid (CID 66844757) is (2R,5R)-5-[tert-butyl(dimethyl)silyl]oxy-2-(hydroxymethyl)piperidine-1-carboxylic acid.
What is the SMILES notation for (2R,5R)-5-[tert-butyl(dimethyl)silyl]oxy-2-(hydroxymethyl)piperidine-1-carboxylic acid?
The canonical SMILES for (2R,5R)-5-[tert-butyl(dimethyl)silyl]oxy-2-(hydroxymethyl)piperidine-1-carboxylic acid is CC(C)(C)[Si](C)(C)O[C@@H]1CC[C@H](CO)N(C(=O)O)C1.
What is the InChIKey of (2R,5R)-5-[tert-butyl(dimethyl)silyl]oxy-2-(hydroxymethyl)piperidine-1-carboxylic acid?
The InChIKey is BIPZPGPPBRZKFQ-GHMZBOCLSA-N. The full InChI is InChI=1S/C13H27NO4Si/c1-13(2,3)19(4,5)18-11-7-6-10(9-15)14(8-11)12(16)17/h10-11,15H,6-9H2,1-5H3,(H,16,17)/t10-,11-/m1/s1.
What are the key properties of (2R,5R)-5-[tert-butyl(dimethyl)silyl]oxy-2-(hydroxymethyl)piperidine-1-carboxylic acid?
(2R,5R)-5-[tert-butyl(dimethyl)silyl]oxy-2-(hydroxymethyl)piperidine-1-carboxylic acid has a molecular weight of 289.45 g/mol, XLogP of 2.51, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2R,5R)-5-[tert-butyl(dimethyl)silyl]oxy-2-(hydroxymethyl)piperidine-1-carboxylic acid is sourced from PubChem (CID 66844757), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).