(2S)-4-[(2R)-4-hydroxy-3-trimethylsilylpyrrolidine-2-carbonyl]oxypyrrolidine-2-carboxylic acid

C13H24N2O5Si — CID 90750727

IUPAC(2S)-4-[(2R)-4-hydroxy-3-trimethylsilylpyrrolidine-2-carbonyl]oxypyrrolidine-2-carboxylic acid
SMILESC[Si](C)(C)C1C(O)CN[C@@H]1C(=O)OC1CN[C@H](C(=O)O)C1
InChIInChI=1S/C13H24N2O5Si/c1-21(2,3)11-9(16)6-15-10(11)13(19)20-7-4-8(12(17)18)14-5-7/h7-11,14-16H,4-6H2,1-3H3,(H,17,18)/t7?,8-,9?,10-,11?/m0/s1
InChIKeyUAKRYFAAOSECRJ-ASVSOPFUSA-N
MW316.43 g/mol
LogP-0.61
Rot. Bonds4

About (2S)-4-[(2R)-4-hydroxy-3-trimethylsilylpyrrolidine-2-carbonyl]oxypyrrolidine-2-carboxylic acid

(2S)-4-[(2R)-4-hydroxy-3-trimethylsilylpyrrolidine-2-carbonyl]oxypyrrolidine-2-carboxylic acid (PubChem CID 90750727) has the molecular formula C13H24N2O5Si and a molecular weight of 316.43 g/mol. Its IUPAC name is (2S)-4-[(2R)-4-hydroxy-3-trimethylsilylpyrrolidine-2-carbonyl]oxypyrrolidine-2-carboxylic acid.

Molecular Properties

Compound Name(2S)-4-[(2R)-4-hydroxy-3-trimethylsilylpyrrolidine-2-carbonyl]oxypyrrolidine-2-carboxylic acid
PubChem CID90750727
Molecular FormulaC13H24N2O5Si
Molecular Weight316.43 g/mol
Exact Mass316.15
IUPAC Name(2S)-4-[(2R)-4-hydroxy-3-trimethylsilylpyrrolidine-2-carbonyl]oxypyrrolidine-2-carboxylic acid
SMILESC[Si](C)(C)C1C(O)CN[C@@H]1C(=O)OC1CN[C@H](C(=O)O)C1
InChIInChI=1S/C13H24N2O5Si/c1-21(2,3)11-9(16)6-15-10(11)13(19)20-7-4-8(12(17)18)14-5-7/h7-11,14-16H,4-6H2,1-3H3,(H,17,18)/t7?,8-,9?,10-,11?/m0/s1
InChIKeyUAKRYFAAOSECRJ-ASVSOPFUSA-N
XLogP-0.61
TPSA107.89 Ų
H-Bond Donors4
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500316.43
LogP ≤ 5-0.61
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 106

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 (2S)-4-[(2R)-4-hydroxy-3-trimethylsilylpyrrolidine-2-carbonyl]oxypyrrolidine-2-carboxylic acid?
The IUPAC name of (2S)-4-[(2R)-4-hydroxy-3-trimethylsilylpyrrolidine-2-carbonyl]oxypyrrolidine-2-carboxylic acid (CID 90750727) is (2S)-4-[(2R)-4-hydroxy-3-trimethylsilylpyrrolidine-2-carbonyl]oxypyrrolidine-2-carboxylic acid.
What is the SMILES notation for (2S)-4-[(2R)-4-hydroxy-3-trimethylsilylpyrrolidine-2-carbonyl]oxypyrrolidine-2-carboxylic acid?
The canonical SMILES for (2S)-4-[(2R)-4-hydroxy-3-trimethylsilylpyrrolidine-2-carbonyl]oxypyrrolidine-2-carboxylic acid is C[Si](C)(C)C1C(O)CN[C@@H]1C(=O)OC1CN[C@H](C(=O)O)C1.
What is the InChIKey of (2S)-4-[(2R)-4-hydroxy-3-trimethylsilylpyrrolidine-2-carbonyl]oxypyrrolidine-2-carboxylic acid?
The InChIKey is UAKRYFAAOSECRJ-ASVSOPFUSA-N. The full InChI is InChI=1S/C13H24N2O5Si/c1-21(2,3)11-9(16)6-15-10(11)13(19)20-7-4-8(12(17)18)14-5-7/h7-11,14-16H,4-6H2,1-3H3,(H,17,18)/t7?,8-,9?,10-,11?/m0/s1.
What are the key properties of (2S)-4-[(2R)-4-hydroxy-3-trimethylsilylpyrrolidine-2-carbonyl]oxypyrrolidine-2-carboxylic acid?
(2S)-4-[(2R)-4-hydroxy-3-trimethylsilylpyrrolidine-2-carbonyl]oxypyrrolidine-2-carboxylic acid has a molecular weight of 316.43 g/mol, XLogP of -0.61, 4 rotatable bonds, 4 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-4-[(2R)-4-hydroxy-3-trimethylsilylpyrrolidine-2-carbonyl]oxypyrrolidine-2-carboxylic acid is sourced from PubChem (CID 90750727), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).