(2S,4R)-2-[[tert-butyl(diphenyl)silyl]oxymethyl]-4-hydroxypyrrolidine-1-carboxylic acid

C22H29NO4Si — CID 141362787

IUPAC(2S,4R)-2-[[tert-butyl(diphenyl)silyl]oxymethyl]-4-hydroxypyrrolidine-1-carboxylic acid
SMILESCC(C)(C)[Si](OC[C@@H]1C[C@@H](O)CN1C(=O)O)(c1ccccc1)c1ccccc1
InChIInChI=1S/C22H29NO4Si/c1-22(2,3)28(19-10-6-4-7-11-19,20-12-8-5-9-13-20)27-16-17-14-18(24)15-23(17)21(25)26/h4-13,17-18,24H,14-16H2,1-3H3,(H,25,26)/t17-,18+/m0/s1
InChIKeyOFLPOPMBDJSSSX-ZWKOTPCHSA-N
MW399.56 g/mol
LogP2.68
Rot. Bonds5

About (2S,4R)-2-[[tert-butyl(diphenyl)silyl]oxymethyl]-4-hydroxypyrrolidine-1-carboxylic acid

(2S,4R)-2-[[tert-butyl(diphenyl)silyl]oxymethyl]-4-hydroxypyrrolidine-1-carboxylic acid (PubChem CID 141362787) has the molecular formula C22H29NO4Si and a molecular weight of 399.56 g/mol. Its IUPAC name is (2S,4R)-2-[[tert-butyl(diphenyl)silyl]oxymethyl]-4-hydroxypyrrolidine-1-carboxylic acid.

Molecular Properties

Compound Name(2S,4R)-2-[[tert-butyl(diphenyl)silyl]oxymethyl]-4-hydroxypyrrolidine-1-carboxylic acid
PubChem CID141362787
Molecular FormulaC22H29NO4Si
Molecular Weight399.56 g/mol
Exact Mass399.19
IUPAC Name(2S,4R)-2-[[tert-butyl(diphenyl)silyl]oxymethyl]-4-hydroxypyrrolidine-1-carboxylic acid
SMILESCC(C)(C)[Si](OC[C@@H]1C[C@@H](O)CN1C(=O)O)(c1ccccc1)c1ccccc1
InChIInChI=1S/C22H29NO4Si/c1-22(2,3)28(19-10-6-4-7-11-19,20-12-8-5-9-13-20)27-16-17-14-18(24)15-23(17)21(25)26/h4-13,17-18,24H,14-16H2,1-3H3,(H,25,26)/t17-,18+/m0/s1
InChIKeyOFLPOPMBDJSSSX-ZWKOTPCHSA-N
XLogP2.68
TPSA70.00 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500399.56
LogP ≤ 52.68
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

2-[[tert-butyl(diphenyl)silyl]oxymethyl]-4-(hydroxymethyl)piperidine-1-carboxylic acid
CID 155658340
tert-butyl (2S,4R)-4-amino-2-[[tert-butyl(diphenyl)silyl]oxymethyl]pyrrolidine-1-carboxylate
CID 69332987
tert-butyl (2R,4R)-2-[[tert-butyl(diphenyl)silyl]oxymethyl]-4-(dimethylamino)pyrrolidine-1-carboxylate
CID 139939732
tert-butyl (2S,4S)-4-(aminomethyl)-2-[[tert-butyl(diphenyl)silyl]oxymethyl]pyrrolidine-1-carboxylate
CID 140846318
(2R)-2-[[tert-butyl(diphenyl)silyl]oxymethyl]-5-hydroxypyrrolidine-1-carboxylic acid
CID 175419157
(2S,4R)-4-[tert-butyl(diphenyl)silyl]oxy-2-(hydroxymethyl)pyrrolidine-1-carboxylic acid
CID 70976300
benzyl (1S,4S,6S)-4-[[tert-butyl(diphenyl)silyl]oxymethyl]-3-azabicyclo[4.1.0]heptane-3-carboxylate
CID 59396023
2-[[tert-butyl(diphenyl)silyl]oxymethyl]-5-oxopyrrolidine-1-carboxylic acid
CID 22169739
2-[2-[[tert-butyl(diphenyl)silyl]oxymethyl]cyclopropyl]acetic acid
CID 146157316
(2S)-4-hydroxy-2-(phenylmethoxymethyl)pyrrolidine-1-carboxylic acid
CID 155211250
(2S,4S)-4-hydroxy-2-(methoxymethyl)pyrrolidine-1-carboxylic acid
CID 66670441
trans-methyl (2R,4S)-2-[[tert-butyl(diphenyl)silyl]oxymethyl]-4-hydroxycyclopentane-1-carboxylate
CID 140825988

Frequently Asked Questions

What is the IUPAC name of (2S,4R)-2-[[tert-butyl(diphenyl)silyl]oxymethyl]-4-hydroxypyrrolidine-1-carboxylic acid?
The IUPAC name of (2S,4R)-2-[[tert-butyl(diphenyl)silyl]oxymethyl]-4-hydroxypyrrolidine-1-carboxylic acid (CID 141362787) is (2S,4R)-2-[[tert-butyl(diphenyl)silyl]oxymethyl]-4-hydroxypyrrolidine-1-carboxylic acid.
What is the SMILES notation for (2S,4R)-2-[[tert-butyl(diphenyl)silyl]oxymethyl]-4-hydroxypyrrolidine-1-carboxylic acid?
The canonical SMILES for (2S,4R)-2-[[tert-butyl(diphenyl)silyl]oxymethyl]-4-hydroxypyrrolidine-1-carboxylic acid is CC(C)(C)[Si](OC[C@@H]1C[C@@H](O)CN1C(=O)O)(c1ccccc1)c1ccccc1.
What is the InChIKey of (2S,4R)-2-[[tert-butyl(diphenyl)silyl]oxymethyl]-4-hydroxypyrrolidine-1-carboxylic acid?
The InChIKey is OFLPOPMBDJSSSX-ZWKOTPCHSA-N. The full InChI is InChI=1S/C22H29NO4Si/c1-22(2,3)28(19-10-6-4-7-11-19,20-12-8-5-9-13-20)27-16-17-14-18(24)15-23(17)21(25)26/h4-13,17-18,24H,14-16H2,1-3H3,(H,25,26)/t17-,18+/m0/s1.
What are the key properties of (2S,4R)-2-[[tert-butyl(diphenyl)silyl]oxymethyl]-4-hydroxypyrrolidine-1-carboxylic acid?
(2S,4R)-2-[[tert-butyl(diphenyl)silyl]oxymethyl]-4-hydroxypyrrolidine-1-carboxylic acid has a molecular weight of 399.56 g/mol, XLogP of 2.68, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2S,4R)-2-[[tert-butyl(diphenyl)silyl]oxymethyl]-4-hydroxypyrrolidine-1-carboxylic acid is sourced from PubChem (CID 141362787), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).