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

C15H26ClNO4Si — CID 87828403

IUPAC(2R)-2-[[tert-butyl(dimethyl)silyl]oxymethyl]-4-(2-chloroacetyl)-3,6-dihydro-2H-pyridine-1-carboxylic acid
SMILESCC(C)(C)[Si](C)(C)OC[C@H]1CC(C(=O)CCl)=CCN1C(=O)O
InChIInChI=1S/C15H26ClNO4Si/c1-15(2,3)22(4,5)21-10-12-8-11(13(18)9-16)6-7-17(12)14(19)20/h6,12H,7-10H2,1-5H3,(H,19,20)/t12-/m1/s1
InChIKeyOBQUCQNNWYRFMA-GFCCVEGCSA-N
MW347.92 g/mol
LogP3.49
Rot. Bonds5

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

(2R)-2-[[tert-butyl(dimethyl)silyl]oxymethyl]-4-(2-chloroacetyl)-3,6-dihydro-2H-pyridine-1-carboxylic acid (PubChem CID 87828403) has the molecular formula C15H26ClNO4Si and a molecular weight of 347.92 g/mol. Its IUPAC name is (2R)-2-[[tert-butyl(dimethyl)silyl]oxymethyl]-4-(2-chloroacetyl)-3,6-dihydro-2H-pyridine-1-carboxylic acid.

Molecular Properties

Compound Name(2R)-2-[[tert-butyl(dimethyl)silyl]oxymethyl]-4-(2-chloroacetyl)-3,6-dihydro-2H-pyridine-1-carboxylic acid
PubChem CID87828403
Molecular FormulaC15H26ClNO4Si
Molecular Weight347.92 g/mol
Exact Mass347.13
IUPAC Name(2R)-2-[[tert-butyl(dimethyl)silyl]oxymethyl]-4-(2-chloroacetyl)-3,6-dihydro-2H-pyridine-1-carboxylic acid
SMILESCC(C)(C)[Si](C)(C)OC[C@H]1CC(C(=O)CCl)=CCN1C(=O)O
InChIInChI=1S/C15H26ClNO4Si/c1-15(2,3)22(4,5)21-10-12-8-11(13(18)9-16)6-7-17(12)14(19)20/h6,12H,7-10H2,1-5H3,(H,19,20)/t12-/m1/s1
InChIKeyOBQUCQNNWYRFMA-GFCCVEGCSA-N
XLogP3.49
TPSA66.84 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500347.92
LogP ≤ 53.49
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

(2R)-2-[[tert-butyl(dimethyl)silyl]oxymethyl]-3,6-dihydro-2H-pyridine-1,4-dicarboxylic acid
CID 69348864
1-[(2R)-2-[[tert-butyl(dimethyl)silyl]oxymethyl]-1-methyl-3,6-dihydro-2H-pyridin-4-yl]-2-chloroethanone
CID 58782054
(2S)-2-[[tert-butyl(dimethyl)silyl]oxymethyl]-5-ethoxycarbonyl-3,6-dihydro-2H-pyridine-1-carboxylic acid
CID 91568304
1-[(2R)-2-[[tert-butyl(dimethyl)silyl]oxymethyl]-1-methyl-3,6-dihydro-2H-pyridin-4-yl]-2-chloroethanone;4-[(2R)-2-[[tert-butyl(dimethyl)silyl]oxymethyl]-1-methyl-3,6-dihydro-2H-pyridin-4-yl]-3H-1,3-thiazole-2-thione;methyl (2R)-2-[[tert-butyl(dimethyl)silyl]oxymethyl]-1-methyl-3,6-dihydro-2H-pyridine-4-carboxylate
CID 159738820
2-[[tert-butyl(dimethyl)silyl]oxymethyl]-4-(spiro[2.5]oct-6-en-6-ylmethylidene)pyrrolidine-1-carboxylic acid
CID 174223740
2-[[tert-butyl(dimethyl)silyl]oxymethyl]-5-ethoxycarbonyl-4-oxopiperidine-1-carboxylic acid
CID 66590923
2-[[tert-butyl(dimethyl)silyl]oxymethyl]-4-methyl-5-oxo-2,6-dihydropyridine-1-carboxylic acid
CID 162091438
(6S)-6-[[tert-butyl(dimethyl)silyl]oxymethyl]-1-oxa-7-azaspiro[3.4]octane-7-carboxylic acid
CID 174056792
tert-butyl (2S)-2-[[tert-butyl(dimethyl)silyl]oxymethyl]-4-methylidenepiperidine-1-carboxylate
CID 66733909
ethyl (3S)-3-[[tert-butyl(dimethyl)silyl]oxymethyl]-3,4-dihydro-1H-isoquinoline-2-carboxylate
CID 10521786
(2S)-2-(fluoromethyl)-3,6-dihydro-2H-pyridine-1,4-dicarboxylic acid
CID 69350167
2-[[tert-butyl(dimethyl)silyl]oxymethyl]-3,4-dimethyl-5-oxo-2,6-dihydropyridine-1-carboxylic acid
CID 161325711

Frequently Asked Questions

What is the IUPAC name of (2R)-2-[[tert-butyl(dimethyl)silyl]oxymethyl]-4-(2-chloroacetyl)-3,6-dihydro-2H-pyridine-1-carboxylic acid?
The IUPAC name of (2R)-2-[[tert-butyl(dimethyl)silyl]oxymethyl]-4-(2-chloroacetyl)-3,6-dihydro-2H-pyridine-1-carboxylic acid (CID 87828403) is (2R)-2-[[tert-butyl(dimethyl)silyl]oxymethyl]-4-(2-chloroacetyl)-3,6-dihydro-2H-pyridine-1-carboxylic acid.
What is the SMILES notation for (2R)-2-[[tert-butyl(dimethyl)silyl]oxymethyl]-4-(2-chloroacetyl)-3,6-dihydro-2H-pyridine-1-carboxylic acid?
The canonical SMILES for (2R)-2-[[tert-butyl(dimethyl)silyl]oxymethyl]-4-(2-chloroacetyl)-3,6-dihydro-2H-pyridine-1-carboxylic acid is CC(C)(C)[Si](C)(C)OC[C@H]1CC(C(=O)CCl)=CCN1C(=O)O.
What is the InChIKey of (2R)-2-[[tert-butyl(dimethyl)silyl]oxymethyl]-4-(2-chloroacetyl)-3,6-dihydro-2H-pyridine-1-carboxylic acid?
The InChIKey is OBQUCQNNWYRFMA-GFCCVEGCSA-N. The full InChI is InChI=1S/C15H26ClNO4Si/c1-15(2,3)22(4,5)21-10-12-8-11(13(18)9-16)6-7-17(12)14(19)20/h6,12H,7-10H2,1-5H3,(H,19,20)/t12-/m1/s1.
What are the key properties of (2R)-2-[[tert-butyl(dimethyl)silyl]oxymethyl]-4-(2-chloroacetyl)-3,6-dihydro-2H-pyridine-1-carboxylic acid?
(2R)-2-[[tert-butyl(dimethyl)silyl]oxymethyl]-4-(2-chloroacetyl)-3,6-dihydro-2H-pyridine-1-carboxylic acid has a molecular weight of 347.92 g/mol, XLogP of 3.49, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-2-[[tert-butyl(dimethyl)silyl]oxymethyl]-4-(2-chloroacetyl)-3,6-dihydro-2H-pyridine-1-carboxylic acid is sourced from PubChem (CID 87828403), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).