(2R)-2-[[tert-butyl(dimethyl)silyl]oxymethyl]-3,6-dihydro-2H-pyridine-1,4-dicarboxylic acid

C14H25NO5Si — CID 69348864

IUPAC(2R)-2-[[tert-butyl(dimethyl)silyl]oxymethyl]-3,6-dihydro-2H-pyridine-1,4-dicarboxylic acid
SMILESCC(C)(C)[Si](C)(C)OC[C@H]1CC(C(=O)O)=CCN1C(=O)O
InChIInChI=1S/C14H25NO5Si/c1-14(2,3)21(4,5)20-9-11-8-10(12(16)17)6-7-15(11)13(18)19/h6,11H,7-9H2,1-5H3,(H,16,17)(H,18,19)/t11-/m1/s1
InChIKeyRZDSJFYRVLLVRB-LLVKDONJSA-N
MW315.44 g/mol
LogP2.77
Rot. Bonds4

About (2R)-2-[[tert-butyl(dimethyl)silyl]oxymethyl]-3,6-dihydro-2H-pyridine-1,4-dicarboxylic acid

(2R)-2-[[tert-butyl(dimethyl)silyl]oxymethyl]-3,6-dihydro-2H-pyridine-1,4-dicarboxylic acid (PubChem CID 69348864) has the molecular formula C14H25NO5Si and a molecular weight of 315.44 g/mol. Its IUPAC name is (2R)-2-[[tert-butyl(dimethyl)silyl]oxymethyl]-3,6-dihydro-2H-pyridine-1,4-dicarboxylic acid.

Molecular Properties

Compound Name(2R)-2-[[tert-butyl(dimethyl)silyl]oxymethyl]-3,6-dihydro-2H-pyridine-1,4-dicarboxylic acid
PubChem CID69348864
Molecular FormulaC14H25NO5Si
Molecular Weight315.44 g/mol
Exact Mass315.15
IUPAC Name(2R)-2-[[tert-butyl(dimethyl)silyl]oxymethyl]-3,6-dihydro-2H-pyridine-1,4-dicarboxylic acid
SMILESCC(C)(C)[Si](C)(C)OC[C@H]1CC(C(=O)O)=CCN1C(=O)O
InChIInChI=1S/C14H25NO5Si/c1-14(2,3)21(4,5)20-9-11-8-10(12(16)17)6-7-15(11)13(18)19/h6,11H,7-9H2,1-5H3,(H,16,17)(H,18,19)/t11-/m1/s1
InChIKeyRZDSJFYRVLLVRB-LLVKDONJSA-N
XLogP2.77
TPSA87.07 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500315.44
LogP ≤ 52.77
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of (2R)-2-[[tert-butyl(dimethyl)silyl]oxymethyl]-3,6-dihydro-2H-pyridine-1,4-dicarboxylic acid?
The IUPAC name of (2R)-2-[[tert-butyl(dimethyl)silyl]oxymethyl]-3,6-dihydro-2H-pyridine-1,4-dicarboxylic acid (CID 69348864) is (2R)-2-[[tert-butyl(dimethyl)silyl]oxymethyl]-3,6-dihydro-2H-pyridine-1,4-dicarboxylic acid.
What is the SMILES notation for (2R)-2-[[tert-butyl(dimethyl)silyl]oxymethyl]-3,6-dihydro-2H-pyridine-1,4-dicarboxylic acid?
The canonical SMILES for (2R)-2-[[tert-butyl(dimethyl)silyl]oxymethyl]-3,6-dihydro-2H-pyridine-1,4-dicarboxylic acid is CC(C)(C)[Si](C)(C)OC[C@H]1CC(C(=O)O)=CCN1C(=O)O.
What is the InChIKey of (2R)-2-[[tert-butyl(dimethyl)silyl]oxymethyl]-3,6-dihydro-2H-pyridine-1,4-dicarboxylic acid?
The InChIKey is RZDSJFYRVLLVRB-LLVKDONJSA-N. The full InChI is InChI=1S/C14H25NO5Si/c1-14(2,3)21(4,5)20-9-11-8-10(12(16)17)6-7-15(11)13(18)19/h6,11H,7-9H2,1-5H3,(H,16,17)(H,18,19)/t11-/m1/s1.
What are the key properties of (2R)-2-[[tert-butyl(dimethyl)silyl]oxymethyl]-3,6-dihydro-2H-pyridine-1,4-dicarboxylic acid?
(2R)-2-[[tert-butyl(dimethyl)silyl]oxymethyl]-3,6-dihydro-2H-pyridine-1,4-dicarboxylic acid has a molecular weight of 315.44 g/mol, XLogP of 2.77, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-2-[[tert-butyl(dimethyl)silyl]oxymethyl]-3,6-dihydro-2H-pyridine-1,4-dicarboxylic acid is sourced from PubChem (CID 69348864), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).