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

C20H41NO5Si2 — CID 10025777

IUPAC(2S,4R)-4-[tert-butyl(dimethyl)silyl]oxy-1-[(2S)-2-[tert-butyl(dimethyl)silyl]oxypropanoyl]pyrrolidine-2-carboxylic acid
SMILESC[C@H](O[Si](C)(C)C(C)(C)C)C(=O)N1C[C@H](O[Si](C)(C)C(C)(C)C)C[C@H]1C(=O)O
InChIInChI=1S/C20H41NO5Si2/c1-14(25-27(8,9)19(2,3)4)17(22)21-13-15(12-16(21)18(23)24)26-28(10,11)20(5,6)7/h14-16H,12-13H2,1-11H3,(H,23,24)/t14-,15+,16-/m0/s1
InChIKeyINTHYCJLDFPGSE-XHSDSOJGSA-N
MW431.72 g/mol
LogP4.47
Rot. Bonds6

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

(2S,4R)-4-[tert-butyl(dimethyl)silyl]oxy-1-[(2S)-2-[tert-butyl(dimethyl)silyl]oxypropanoyl]pyrrolidine-2-carboxylic acid (PubChem CID 10025777) has the molecular formula C20H41NO5Si2 and a molecular weight of 431.72 g/mol. Its IUPAC name is (2S,4R)-4-[tert-butyl(dimethyl)silyl]oxy-1-[(2S)-2-[tert-butyl(dimethyl)silyl]oxypropanoyl]pyrrolidine-2-carboxylic acid.

Molecular Properties

Compound Name(2S,4R)-4-[tert-butyl(dimethyl)silyl]oxy-1-[(2S)-2-[tert-butyl(dimethyl)silyl]oxypropanoyl]pyrrolidine-2-carboxylic acid
PubChem CID10025777
Molecular FormulaC20H41NO5Si2
Molecular Weight431.72 g/mol
Exact Mass431.25
IUPAC Name(2S,4R)-4-[tert-butyl(dimethyl)silyl]oxy-1-[(2S)-2-[tert-butyl(dimethyl)silyl]oxypropanoyl]pyrrolidine-2-carboxylic acid
SMILESC[C@H](O[Si](C)(C)C(C)(C)C)C(=O)N1C[C@H](O[Si](C)(C)C(C)(C)C)C[C@H]1C(=O)O
InChIInChI=1S/C20H41NO5Si2/c1-14(25-27(8,9)19(2,3)4)17(22)21-13-15(12-16(21)18(23)24)26-28(10,11)20(5,6)7/h14-16H,12-13H2,1-11H3,(H,23,24)/t14-,15+,16-/m0/s1
InChIKeyINTHYCJLDFPGSE-XHSDSOJGSA-N
XLogP4.47
TPSA76.07 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500431.72
LogP ≤ 54.47
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

4-[tert-butyl(dimethyl)silyl]oxy-1-[(2S)-3,3-dimethyl-2-[(2-methylpropan-2-yl)oxycarbonylamino]butanoyl]pyrrolidine-2-carboxylic acid
CID 175150377
(2S,4R)-4-[tert-butyl(dimethyl)silyl]oxypiperidine-1,2-dicarboxylic acid
CID 90782508
4-[(2S,4R)-4-[tert-butyl(dimethyl)silyl]oxy-1-[(2-methylpropan-2-yl)oxycarbonyl]pyrrolidin-2-yl]-1-[(2-methylpropan-2-yl)oxycarbonyl]pyrrolidine-2-carboxylic acid
CID 18657897
(3E)-1-[(2S,4R)-2-acetyl-4-[tert-butyl(dimethyl)silyl]oxypyrrolidin-1-yl]-3-(2-aminoethylidene)-2-methylhexan-1-one
CID 71150370
(2R,4S)-1-benzyl-4-[tert-butyl(dimethyl)silyl]oxypyrrolidine-2-carboxylic acid
CID 175140102
1-benzyl-4-[tert-butyl(dimethyl)silyl]oxypyrrolidine-2-carboxylic acid
CID 67033582
tert-butyl 4-[tert-butyl(dimethyl)silyl]oxy-2-prop-1-en-2-ylpyrrolidine-1-carboxylate
CID 85290251
(2R,3R)-3-[(2S,4R)-4-[tert-butyl(dimethyl)silyl]oxy-1-[(2-methylpropan-2-yl)oxycarbonyl]pyrrolidin-2-yl]-3-methoxy-2-methylpropanoic acid
CID 90091054
4-methoxy-1-(2-methylsulfanylpropanoyl)pyrrolidine-2-carboxylic acid
CID 115923907
azane;1-O-tert-butyl 2-O-methyl (2S,4R)-4-[tert-butyl(dimethyl)silyl]oxypyrrolidine-1,2-dicarboxylate
CID 160879696
(2S,4R)-4-[tert-butyl(dimethyl)silyl]oxy-2-(methoxymethyl)pyrrolidine-1-carboxylic acid
CID 69007279
1-[(2S)-2-aminopropanoyl]-4-methoxypyrrolidine-2-carboxylic acid
CID 61159404

Frequently Asked Questions

What is the IUPAC name of (2S,4R)-4-[tert-butyl(dimethyl)silyl]oxy-1-[(2S)-2-[tert-butyl(dimethyl)silyl]oxypropanoyl]pyrrolidine-2-carboxylic acid?
The IUPAC name of (2S,4R)-4-[tert-butyl(dimethyl)silyl]oxy-1-[(2S)-2-[tert-butyl(dimethyl)silyl]oxypropanoyl]pyrrolidine-2-carboxylic acid (CID 10025777) is (2S,4R)-4-[tert-butyl(dimethyl)silyl]oxy-1-[(2S)-2-[tert-butyl(dimethyl)silyl]oxypropanoyl]pyrrolidine-2-carboxylic acid.
What is the SMILES notation for (2S,4R)-4-[tert-butyl(dimethyl)silyl]oxy-1-[(2S)-2-[tert-butyl(dimethyl)silyl]oxypropanoyl]pyrrolidine-2-carboxylic acid?
The canonical SMILES for (2S,4R)-4-[tert-butyl(dimethyl)silyl]oxy-1-[(2S)-2-[tert-butyl(dimethyl)silyl]oxypropanoyl]pyrrolidine-2-carboxylic acid is C[C@H](O[Si](C)(C)C(C)(C)C)C(=O)N1C[C@H](O[Si](C)(C)C(C)(C)C)C[C@H]1C(=O)O.
What is the InChIKey of (2S,4R)-4-[tert-butyl(dimethyl)silyl]oxy-1-[(2S)-2-[tert-butyl(dimethyl)silyl]oxypropanoyl]pyrrolidine-2-carboxylic acid?
The InChIKey is INTHYCJLDFPGSE-XHSDSOJGSA-N. The full InChI is InChI=1S/C20H41NO5Si2/c1-14(25-27(8,9)19(2,3)4)17(22)21-13-15(12-16(21)18(23)24)26-28(10,11)20(5,6)7/h14-16H,12-13H2,1-11H3,(H,23,24)/t14-,15+,16-/m0/s1.
What are the key properties of (2S,4R)-4-[tert-butyl(dimethyl)silyl]oxy-1-[(2S)-2-[tert-butyl(dimethyl)silyl]oxypropanoyl]pyrrolidine-2-carboxylic acid?
(2S,4R)-4-[tert-butyl(dimethyl)silyl]oxy-1-[(2S)-2-[tert-butyl(dimethyl)silyl]oxypropanoyl]pyrrolidine-2-carboxylic acid has a molecular weight of 431.72 g/mol, XLogP of 4.47, 6 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-1-[(2S)-2-[tert-butyl(dimethyl)silyl]oxypropanoyl]pyrrolidine-2-carboxylic acid is sourced from PubChem (CID 10025777), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).