(2S,4R)-4-[tert-butyl(dimethyl)silyl]oxy-2-methyl-1-nitrosopyrrolidine-2-carboxylic acid

C12H24N2O4Si — CID 89397320

IUPAC(2S,4R)-4-[tert-butyl(dimethyl)silyl]oxy-2-methyl-1-nitrosopyrrolidine-2-carboxylic acid
SMILESCC(C)(C)[Si](C)(C)O[C@H]1CN(N=O)[C@](C)(C(=O)O)C1
InChIInChI=1S/C12H24N2O4Si/c1-11(2,3)19(5,6)18-9-7-12(4,10(15)16)14(8-9)13-17/h9H,7-8H2,1-6H3,(H,15,16)/t9-,12+/m1/s1
InChIKeySOMCOTLDJKJRFN-SKDRFNHKSA-N
MW288.42 g/mol
LogP2.61
Rot. Bonds4

About (2S,4R)-4-[tert-butyl(dimethyl)silyl]oxy-2-methyl-1-nitrosopyrrolidine-2-carboxylic acid

(2S,4R)-4-[tert-butyl(dimethyl)silyl]oxy-2-methyl-1-nitrosopyrrolidine-2-carboxylic acid (PubChem CID 89397320) has the molecular formula C12H24N2O4Si and a molecular weight of 288.42 g/mol. Its IUPAC name is (2S,4R)-4-[tert-butyl(dimethyl)silyl]oxy-2-methyl-1-nitrosopyrrolidine-2-carboxylic acid.

Molecular Properties

Compound Name(2S,4R)-4-[tert-butyl(dimethyl)silyl]oxy-2-methyl-1-nitrosopyrrolidine-2-carboxylic acid
PubChem CID89397320
Molecular FormulaC12H24N2O4Si
Molecular Weight288.42 g/mol
Exact Mass288.15
IUPAC Name(2S,4R)-4-[tert-butyl(dimethyl)silyl]oxy-2-methyl-1-nitrosopyrrolidine-2-carboxylic acid
SMILESCC(C)(C)[Si](C)(C)O[C@H]1CN(N=O)[C@](C)(C(=O)O)C1
InChIInChI=1S/C12H24N2O4Si/c1-11(2,3)19(5,6)18-9-7-12(4,10(15)16)14(8-9)13-17/h9H,7-8H2,1-6H3,(H,15,16)/t9-,12+/m1/s1
InChIKeySOMCOTLDJKJRFN-SKDRFNHKSA-N
XLogP2.61
TPSA79.20 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500288.42
LogP ≤ 52.61
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of (2S,4R)-4-[tert-butyl(dimethyl)silyl]oxy-2-methyl-1-nitrosopyrrolidine-2-carboxylic acid?
The IUPAC name of (2S,4R)-4-[tert-butyl(dimethyl)silyl]oxy-2-methyl-1-nitrosopyrrolidine-2-carboxylic acid (CID 89397320) is (2S,4R)-4-[tert-butyl(dimethyl)silyl]oxy-2-methyl-1-nitrosopyrrolidine-2-carboxylic acid.
What is the SMILES notation for (2S,4R)-4-[tert-butyl(dimethyl)silyl]oxy-2-methyl-1-nitrosopyrrolidine-2-carboxylic acid?
The canonical SMILES for (2S,4R)-4-[tert-butyl(dimethyl)silyl]oxy-2-methyl-1-nitrosopyrrolidine-2-carboxylic acid is CC(C)(C)[Si](C)(C)O[C@H]1CN(N=O)[C@](C)(C(=O)O)C1.
What is the InChIKey of (2S,4R)-4-[tert-butyl(dimethyl)silyl]oxy-2-methyl-1-nitrosopyrrolidine-2-carboxylic acid?
The InChIKey is SOMCOTLDJKJRFN-SKDRFNHKSA-N. The full InChI is InChI=1S/C12H24N2O4Si/c1-11(2,3)19(5,6)18-9-7-12(4,10(15)16)14(8-9)13-17/h9H,7-8H2,1-6H3,(H,15,16)/t9-,12+/m1/s1.
What are the key properties of (2S,4R)-4-[tert-butyl(dimethyl)silyl]oxy-2-methyl-1-nitrosopyrrolidine-2-carboxylic acid?
(2S,4R)-4-[tert-butyl(dimethyl)silyl]oxy-2-methyl-1-nitrosopyrrolidine-2-carboxylic acid has a molecular weight of 288.42 g/mol, XLogP of 2.61, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (2S,4R)-4-[tert-butyl(dimethyl)silyl]oxy-2-methyl-1-nitrosopyrrolidine-2-carboxylic acid is sourced from PubChem (CID 89397320), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).