(2R,3R)-2-[3-[tert-butyl(diphenyl)silyl]oxypropyl]-3-hydroxypyrrolidine-1-carboxylic acid

C24H33NO4Si — CID 68915814

IUPAC(2R,3R)-2-[3-[tert-butyl(diphenyl)silyl]oxypropyl]-3-hydroxypyrrolidine-1-carboxylic acid
SMILESCC(C)(C)[Si](OCCC[C@@H]1[C@H](O)CCN1C(=O)O)(c1ccccc1)c1ccccc1
InChIInChI=1S/C24H33NO4Si/c1-24(2,3)30(19-11-6-4-7-12-19,20-13-8-5-9-14-20)29-18-10-15-21-22(26)16-17-25(21)23(27)28/h4-9,11-14,21-22,26H,10,15-18H2,1-3H3,(H,27,28)/t21-,22-/m1/s1
InChIKeyZNDQDOGFSBNLDN-FGZHOGPDSA-N
MW427.62 g/mol
LogP3.46
Rot. Bonds7

About (2R,3R)-2-[3-[tert-butyl(diphenyl)silyl]oxypropyl]-3-hydroxypyrrolidine-1-carboxylic acid

(2R,3R)-2-[3-[tert-butyl(diphenyl)silyl]oxypropyl]-3-hydroxypyrrolidine-1-carboxylic acid (PubChem CID 68915814) has the molecular formula C24H33NO4Si and a molecular weight of 427.62 g/mol. Its IUPAC name is (2R,3R)-2-[3-[tert-butyl(diphenyl)silyl]oxypropyl]-3-hydroxypyrrolidine-1-carboxylic acid.

Molecular Properties

Compound Name(2R,3R)-2-[3-[tert-butyl(diphenyl)silyl]oxypropyl]-3-hydroxypyrrolidine-1-carboxylic acid
PubChem CID68915814
Molecular FormulaC24H33NO4Si
Molecular Weight427.62 g/mol
Exact Mass427.22
IUPAC Name(2R,3R)-2-[3-[tert-butyl(diphenyl)silyl]oxypropyl]-3-hydroxypyrrolidine-1-carboxylic acid
SMILESCC(C)(C)[Si](OCCC[C@@H]1[C@H](O)CCN1C(=O)O)(c1ccccc1)c1ccccc1
InChIInChI=1S/C24H33NO4Si/c1-24(2,3)30(19-11-6-4-7-12-19,20-13-8-5-9-14-20)29-18-10-15-21-22(26)16-17-25(21)23(27)28/h4-9,11-14,21-22,26H,10,15-18H2,1-3H3,(H,27,28)/t21-,22-/m1/s1
InChIKeyZNDQDOGFSBNLDN-FGZHOGPDSA-N
XLogP3.46
TPSA70.00 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500427.62
LogP ≤ 53.46
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of (2R,3R)-2-[3-[tert-butyl(diphenyl)silyl]oxypropyl]-3-hydroxypyrrolidine-1-carboxylic acid?
The IUPAC name of (2R,3R)-2-[3-[tert-butyl(diphenyl)silyl]oxypropyl]-3-hydroxypyrrolidine-1-carboxylic acid (CID 68915814) is (2R,3R)-2-[3-[tert-butyl(diphenyl)silyl]oxypropyl]-3-hydroxypyrrolidine-1-carboxylic acid.
What is the SMILES notation for (2R,3R)-2-[3-[tert-butyl(diphenyl)silyl]oxypropyl]-3-hydroxypyrrolidine-1-carboxylic acid?
The canonical SMILES for (2R,3R)-2-[3-[tert-butyl(diphenyl)silyl]oxypropyl]-3-hydroxypyrrolidine-1-carboxylic acid is CC(C)(C)[Si](OCCC[C@@H]1[C@H](O)CCN1C(=O)O)(c1ccccc1)c1ccccc1.
What is the InChIKey of (2R,3R)-2-[3-[tert-butyl(diphenyl)silyl]oxypropyl]-3-hydroxypyrrolidine-1-carboxylic acid?
The InChIKey is ZNDQDOGFSBNLDN-FGZHOGPDSA-N. The full InChI is InChI=1S/C24H33NO4Si/c1-24(2,3)30(19-11-6-4-7-12-19,20-13-8-5-9-14-20)29-18-10-15-21-22(26)16-17-25(21)23(27)28/h4-9,11-14,21-22,26H,10,15-18H2,1-3H3,(H,27,28)/t21-,22-/m1/s1.
What are the key properties of (2R,3R)-2-[3-[tert-butyl(diphenyl)silyl]oxypropyl]-3-hydroxypyrrolidine-1-carboxylic acid?
(2R,3R)-2-[3-[tert-butyl(diphenyl)silyl]oxypropyl]-3-hydroxypyrrolidine-1-carboxylic acid has a molecular weight of 427.62 g/mol, XLogP of 3.46, 7 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2R,3R)-2-[3-[tert-butyl(diphenyl)silyl]oxypropyl]-3-hydroxypyrrolidine-1-carboxylic acid is sourced from PubChem (CID 68915814), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).