(2R,4R)-4-[tert-butyl(dimethyl)silyl]oxy-2-propylpyrrolidine-1,2-dicarboxylic acid

C15H29NO5Si — CID 67123094

IUPAC(2R,4R)-4-[tert-butyl(dimethyl)silyl]oxy-2-propylpyrrolidine-1,2-dicarboxylic acid
SMILESCCC[C@]1(C(=O)O)C[C@@H](O[Si](C)(C)C(C)(C)C)CN1C(=O)O
InChIInChI=1S/C15H29NO5Si/c1-7-8-15(12(17)18)9-11(10-16(15)13(19)20)21-22(5,6)14(2,3)4/h11H,7-10H2,1-6H3,(H,17,18)(H,19,20)/t11-,15-/m1/s1
InChIKeyQGVIGUDQPRSSTI-IAQYHMDHSA-N
MW331.49 g/mol
LogP3.38
Rot. Bonds5

About (2R,4R)-4-[tert-butyl(dimethyl)silyl]oxy-2-propylpyrrolidine-1,2-dicarboxylic acid

(2R,4R)-4-[tert-butyl(dimethyl)silyl]oxy-2-propylpyrrolidine-1,2-dicarboxylic acid (PubChem CID 67123094) has the molecular formula C15H29NO5Si and a molecular weight of 331.49 g/mol. Its IUPAC name is (2R,4R)-4-[tert-butyl(dimethyl)silyl]oxy-2-propylpyrrolidine-1,2-dicarboxylic acid.

Molecular Properties

Compound Name(2R,4R)-4-[tert-butyl(dimethyl)silyl]oxy-2-propylpyrrolidine-1,2-dicarboxylic acid
PubChem CID67123094
Molecular FormulaC15H29NO5Si
Molecular Weight331.49 g/mol
Exact Mass331.18
IUPAC Name(2R,4R)-4-[tert-butyl(dimethyl)silyl]oxy-2-propylpyrrolidine-1,2-dicarboxylic acid
SMILESCCC[C@]1(C(=O)O)C[C@@H](O[Si](C)(C)C(C)(C)C)CN1C(=O)O
InChIInChI=1S/C15H29NO5Si/c1-7-8-15(12(17)18)9-11(10-16(15)13(19)20)21-22(5,6)14(2,3)4/h11H,7-10H2,1-6H3,(H,17,18)(H,19,20)/t11-,15-/m1/s1
InChIKeyQGVIGUDQPRSSTI-IAQYHMDHSA-N
XLogP3.38
TPSA87.07 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500331.49
LogP ≤ 53.38
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,4R)-4-[tert-butyl(dimethyl)silyl]oxy-2-propylpyrrolidine-1,2-dicarboxylic acid?
The IUPAC name of (2R,4R)-4-[tert-butyl(dimethyl)silyl]oxy-2-propylpyrrolidine-1,2-dicarboxylic acid (CID 67123094) is (2R,4R)-4-[tert-butyl(dimethyl)silyl]oxy-2-propylpyrrolidine-1,2-dicarboxylic acid.
What is the SMILES notation for (2R,4R)-4-[tert-butyl(dimethyl)silyl]oxy-2-propylpyrrolidine-1,2-dicarboxylic acid?
The canonical SMILES for (2R,4R)-4-[tert-butyl(dimethyl)silyl]oxy-2-propylpyrrolidine-1,2-dicarboxylic acid is CCC[C@]1(C(=O)O)C[C@@H](O[Si](C)(C)C(C)(C)C)CN1C(=O)O.
What is the InChIKey of (2R,4R)-4-[tert-butyl(dimethyl)silyl]oxy-2-propylpyrrolidine-1,2-dicarboxylic acid?
The InChIKey is QGVIGUDQPRSSTI-IAQYHMDHSA-N. The full InChI is InChI=1S/C15H29NO5Si/c1-7-8-15(12(17)18)9-11(10-16(15)13(19)20)21-22(5,6)14(2,3)4/h11H,7-10H2,1-6H3,(H,17,18)(H,19,20)/t11-,15-/m1/s1.
What are the key properties of (2R,4R)-4-[tert-butyl(dimethyl)silyl]oxy-2-propylpyrrolidine-1,2-dicarboxylic acid?
(2R,4R)-4-[tert-butyl(dimethyl)silyl]oxy-2-propylpyrrolidine-1,2-dicarboxylic acid has a molecular weight of 331.49 g/mol, XLogP of 3.38, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2R,4R)-4-[tert-butyl(dimethyl)silyl]oxy-2-propylpyrrolidine-1,2-dicarboxylic acid is sourced from PubChem (CID 67123094), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).