(2R)-2-[[tert-butyl(diphenyl)silyl]oxymethyl]-5-hydroxypyrrolidine-1-carboxylic acid

C22H29NO4Si — CID 175419157

IUPAC(2R)-2-[[tert-butyl(diphenyl)silyl]oxymethyl]-5-hydroxypyrrolidine-1-carboxylic acid
SMILESCC(C)(C)[Si](OC[C@H]1CCC(O)N1C(=O)O)(c1ccccc1)c1ccccc1
InChIInChI=1S/C22H29NO4Si/c1-22(2,3)28(18-10-6-4-7-11-18,19-12-8-5-9-13-19)27-16-17-14-15-20(24)23(17)21(25)26/h4-13,17,20,24H,14-16H2,1-3H3,(H,25,26)/t17-,20?/m1/s1
InChIKeyFUDPNTLESBJDIS-DIAVIDTQSA-N
MW399.56 g/mol
LogP3.02
Rot. Bonds5

About (2R)-2-[[tert-butyl(diphenyl)silyl]oxymethyl]-5-hydroxypyrrolidine-1-carboxylic acid

(2R)-2-[[tert-butyl(diphenyl)silyl]oxymethyl]-5-hydroxypyrrolidine-1-carboxylic acid (PubChem CID 175419157) has the molecular formula C22H29NO4Si and a molecular weight of 399.56 g/mol. Its IUPAC name is (2R)-2-[[tert-butyl(diphenyl)silyl]oxymethyl]-5-hydroxypyrrolidine-1-carboxylic acid.

Molecular Properties

Compound Name(2R)-2-[[tert-butyl(diphenyl)silyl]oxymethyl]-5-hydroxypyrrolidine-1-carboxylic acid
PubChem CID175419157
Molecular FormulaC22H29NO4Si
Molecular Weight399.56 g/mol
Exact Mass399.19
IUPAC Name(2R)-2-[[tert-butyl(diphenyl)silyl]oxymethyl]-5-hydroxypyrrolidine-1-carboxylic acid
SMILESCC(C)(C)[Si](OC[C@H]1CCC(O)N1C(=O)O)(c1ccccc1)c1ccccc1
InChIInChI=1S/C22H29NO4Si/c1-22(2,3)28(18-10-6-4-7-11-18,19-12-8-5-9-13-19)27-16-17-14-15-20(24)23(17)21(25)26/h4-13,17,20,24H,14-16H2,1-3H3,(H,25,26)/t17-,20?/m1/s1
InChIKeyFUDPNTLESBJDIS-DIAVIDTQSA-N
XLogP3.02
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 ≤ 53.02
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

tert-butyl (2R)-2-[[tert-butyl(diphenyl)silyl]oxymethyl]-5-methoxypyrrolidine-1-carboxylate
CID 10719141
(2S,4R)-2-[[tert-butyl(diphenyl)silyl]oxymethyl]-4-hydroxypyrrolidine-1-carboxylic acid
CID 141362787
2-[[tert-butyl(diphenyl)silyl]oxymethyl]-5-oxopyrrolidine-1-carboxylic acid
CID 22169739
tert-butyl (2S,3S,4R)-2-[[tert-butyl(diphenyl)silyl]oxymethyl]-3,4-dideuterio-5-hydroxypyrrolidine-1-carboxylate
CID 10994149
tert-butyl (2S,5S)-2-[[tert-butyl(diphenyl)silyl]oxymethyl]-5-prop-2-enylpyrrolidine-1-carboxylate
CID 101384187
2-[[tert-butyl(diphenyl)silyl]oxymethyl]-4-(hydroxymethyl)piperidine-1-carboxylic acid
CID 155658340
(3S,8S,8aS)-3-[[tert-butyl(diphenyl)silyl]oxymethyl]-8-hydroxy-2,3,8,8a-tetrahydro-1H-indolizin-5-one
CID 11112628
2-[[tert-butyl(diphenyl)silyl]oxymethyl]cyclobutan-1-ol
CID 74035630
(2S)-2-[[tert-butyl(diphenyl)silyl]oxymethyl]cyclobutan-1-ol
CID 174251063
1-[(2S)-2-[[tert-butyl(diphenyl)silyl]oxymethyl]-5-hydroxythiolan-1-ium-1-yl]ethanone
CID 172826315
tert-butyl-[[(2S)-5-methoxy-6-oxa-1-azabicyclo[3.1.0]hexan-2-yl]methoxy]-diphenylsilane
CID 177426805
[1-benzyl-5-[[tert-butyl(diphenyl)silyl]oxymethyl]pyrrolidin-2-yl]methyl-methylcarbamic acid
CID 174147104

Frequently Asked Questions

What is the IUPAC name of (2R)-2-[[tert-butyl(diphenyl)silyl]oxymethyl]-5-hydroxypyrrolidine-1-carboxylic acid?
The IUPAC name of (2R)-2-[[tert-butyl(diphenyl)silyl]oxymethyl]-5-hydroxypyrrolidine-1-carboxylic acid (CID 175419157) is (2R)-2-[[tert-butyl(diphenyl)silyl]oxymethyl]-5-hydroxypyrrolidine-1-carboxylic acid.
What is the SMILES notation for (2R)-2-[[tert-butyl(diphenyl)silyl]oxymethyl]-5-hydroxypyrrolidine-1-carboxylic acid?
The canonical SMILES for (2R)-2-[[tert-butyl(diphenyl)silyl]oxymethyl]-5-hydroxypyrrolidine-1-carboxylic acid is CC(C)(C)[Si](OC[C@H]1CCC(O)N1C(=O)O)(c1ccccc1)c1ccccc1.
What is the InChIKey of (2R)-2-[[tert-butyl(diphenyl)silyl]oxymethyl]-5-hydroxypyrrolidine-1-carboxylic acid?
The InChIKey is FUDPNTLESBJDIS-DIAVIDTQSA-N. The full InChI is InChI=1S/C22H29NO4Si/c1-22(2,3)28(18-10-6-4-7-11-18,19-12-8-5-9-13-19)27-16-17-14-15-20(24)23(17)21(25)26/h4-13,17,20,24H,14-16H2,1-3H3,(H,25,26)/t17-,20?/m1/s1.
What are the key properties of (2R)-2-[[tert-butyl(diphenyl)silyl]oxymethyl]-5-hydroxypyrrolidine-1-carboxylic acid?
(2R)-2-[[tert-butyl(diphenyl)silyl]oxymethyl]-5-hydroxypyrrolidine-1-carboxylic acid has a molecular weight of 399.56 g/mol, XLogP of 3.02, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-2-[[tert-butyl(diphenyl)silyl]oxymethyl]-5-hydroxypyrrolidine-1-carboxylic acid is sourced from PubChem (CID 175419157), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).