(2S)-3-[tert-butyl(dimethyl)silyl]oxy-2-methylpiperidine-1-carboxylic acid

C13H27NO3Si — CID 68603632

IUPAC(2S)-3-[tert-butyl(dimethyl)silyl]oxy-2-methylpiperidine-1-carboxylic acid
SMILESC[C@H]1C(O[Si](C)(C)C(C)(C)C)CCCN1C(=O)O
InChIInChI=1S/C13H27NO3Si/c1-10-11(8-7-9-14(10)12(15)16)17-18(5,6)13(2,3)4/h10-11H,7-9H2,1-6H3,(H,15,16)/t10-,11?/m0/s1
InChIKeyWOGJWMGBAPFVMM-VUWPPUDQSA-N
MW273.45 g/mol
LogP3.54
Rot. Bonds2

About (2S)-3-[tert-butyl(dimethyl)silyl]oxy-2-methylpiperidine-1-carboxylic acid

(2S)-3-[tert-butyl(dimethyl)silyl]oxy-2-methylpiperidine-1-carboxylic acid (PubChem CID 68603632) has the molecular formula C13H27NO3Si and a molecular weight of 273.45 g/mol. Its IUPAC name is (2S)-3-[tert-butyl(dimethyl)silyl]oxy-2-methylpiperidine-1-carboxylic acid.

Molecular Properties

Compound Name(2S)-3-[tert-butyl(dimethyl)silyl]oxy-2-methylpiperidine-1-carboxylic acid
PubChem CID68603632
Molecular FormulaC13H27NO3Si
Molecular Weight273.45 g/mol
Exact Mass273.18
IUPAC Name(2S)-3-[tert-butyl(dimethyl)silyl]oxy-2-methylpiperidine-1-carboxylic acid
SMILESC[C@H]1C(O[Si](C)(C)C(C)(C)C)CCCN1C(=O)O
InChIInChI=1S/C13H27NO3Si/c1-10-11(8-7-9-14(10)12(15)16)17-18(5,6)13(2,3)4/h10-11H,7-9H2,1-6H3,(H,15,16)/t10-,11?/m0/s1
InChIKeyWOGJWMGBAPFVMM-VUWPPUDQSA-N
XLogP3.54
TPSA49.77 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500273.45
LogP ≤ 53.54
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

Analyze (2S)-3-[tert-butyl(dimethyl)silyl]oxy-2-methylpiperidine-1-carboxylic acid with MolForge

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

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of (2S)-3-[tert-butyl(dimethyl)silyl]oxy-2-methylpiperidine-1-carboxylic acid?
The IUPAC name of (2S)-3-[tert-butyl(dimethyl)silyl]oxy-2-methylpiperidine-1-carboxylic acid (CID 68603632) is (2S)-3-[tert-butyl(dimethyl)silyl]oxy-2-methylpiperidine-1-carboxylic acid.
What is the SMILES notation for (2S)-3-[tert-butyl(dimethyl)silyl]oxy-2-methylpiperidine-1-carboxylic acid?
The canonical SMILES for (2S)-3-[tert-butyl(dimethyl)silyl]oxy-2-methylpiperidine-1-carboxylic acid is C[C@H]1C(O[Si](C)(C)C(C)(C)C)CCCN1C(=O)O.
What is the InChIKey of (2S)-3-[tert-butyl(dimethyl)silyl]oxy-2-methylpiperidine-1-carboxylic acid?
The InChIKey is WOGJWMGBAPFVMM-VUWPPUDQSA-N. The full InChI is InChI=1S/C13H27NO3Si/c1-10-11(8-7-9-14(10)12(15)16)17-18(5,6)13(2,3)4/h10-11H,7-9H2,1-6H3,(H,15,16)/t10-,11?/m0/s1.
What are the key properties of (2S)-3-[tert-butyl(dimethyl)silyl]oxy-2-methylpiperidine-1-carboxylic acid?
(2S)-3-[tert-butyl(dimethyl)silyl]oxy-2-methylpiperidine-1-carboxylic acid has a molecular weight of 273.45 g/mol, XLogP of 3.54, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-3-[tert-butyl(dimethyl)silyl]oxy-2-methylpiperidine-1-carboxylic acid is sourced from PubChem (CID 68603632), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).