(4S)-4-[tert-butyl(diphenyl)silyl]oxy-1-methoxycarbonylpyrrolidine-2-carboxylic acid

C23H29NO5Si — CID 175889399

IUPAC(4S)-4-[tert-butyl(diphenyl)silyl]oxy-1-methoxycarbonylpyrrolidine-2-carboxylic acid
SMILESCOC(=O)N1C[C@@H](O[Si](c2ccccc2)(c2ccccc2)C(C)(C)C)CC1C(=O)O
InChIInChI=1S/C23H29NO5Si/c1-23(2,3)30(18-11-7-5-8-12-18,19-13-9-6-10-14-19)29-17-15-20(21(25)26)24(16-17)22(27)28-4/h5-14,17,20H,15-16H2,1-4H3,(H,25,26)/t17-,20?/m0/s1
InChIKeyCWSNORHOTZHQDJ-DIMJTDRSSA-N
MW427.57 g/mol
LogP2.86
Rot. Bonds5

About (4S)-4-[tert-butyl(diphenyl)silyl]oxy-1-methoxycarbonylpyrrolidine-2-carboxylic acid

(4S)-4-[tert-butyl(diphenyl)silyl]oxy-1-methoxycarbonylpyrrolidine-2-carboxylic acid (PubChem CID 175889399) has the molecular formula C23H29NO5Si and a molecular weight of 427.57 g/mol. Its IUPAC name is (4S)-4-[tert-butyl(diphenyl)silyl]oxy-1-methoxycarbonylpyrrolidine-2-carboxylic acid.

Molecular Properties

Compound Name(4S)-4-[tert-butyl(diphenyl)silyl]oxy-1-methoxycarbonylpyrrolidine-2-carboxylic acid
PubChem CID175889399
Molecular FormulaC23H29NO5Si
Molecular Weight427.57 g/mol
Exact Mass427.18
IUPAC Name(4S)-4-[tert-butyl(diphenyl)silyl]oxy-1-methoxycarbonylpyrrolidine-2-carboxylic acid
SMILESCOC(=O)N1C[C@@H](O[Si](c2ccccc2)(c2ccccc2)C(C)(C)C)CC1C(=O)O
InChIInChI=1S/C23H29NO5Si/c1-23(2,3)30(18-11-7-5-8-12-18,19-13-9-6-10-14-19)29-17-15-20(21(25)26)24(16-17)22(27)28-4/h5-14,17,20H,15-16H2,1-4H3,(H,25,26)/t17-,20?/m0/s1
InChIKeyCWSNORHOTZHQDJ-DIMJTDRSSA-N
XLogP2.86
TPSA76.07 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500427.57
LogP ≤ 52.86
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

Analyze (4S)-4-[tert-butyl(diphenyl)silyl]oxy-1-methoxycarbonylpyrrolidine-2-carboxylic acid with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

(2R,4S)-4-[tert-butyl(diphenyl)silyl]oxy-1-[(2-methylpropan-2-yl)oxycarbonyl]pyrrolidine-2-carboxylic acid
CID 169225341
dimethyl (2S,4R)-4-[tert-butyl(diphenyl)silyl]oxypiperidine-1,2-dicarboxylate
CID 24787516
benzyl (2R,4R)-4-[tert-butyl(diphenyl)silyl]oxy-2-(methoxymethylcarbamoyl)pyrrolidine-1-carboxylate
CID 142683565
methyl (2S,4R)-4-[tert-butyl(diphenyl)silyl]oxy-2-cyanopiperidine-1-carboxylate
CID 101209477
(2S,4R)-4-[tert-butyl(diphenyl)silyl]oxy-2-(hydroxymethyl)pyrrolidine-1-carboxylic acid
CID 70976300
cis-methyl (3S,5R)-3,5-bis[[tert-butyl(diphenyl)silyl]oxy]cyclohexane-1-carboxylate
CID 58715061
methyl 3,5-bis[[tert-butyl(diphenyl)silyl]oxy]cyclohexane-1-carboxylate
CID 21062599
methyl (2S,4R)-4-[tert-butyl(diphenyl)silyl]oxy-1-[[4-(trifluoromethoxy)phenyl]carbamoyl]pyrrolidine-2-carboxylate
CID 70975932
3-[tert-butyl(diphenyl)silyl]oxycyclobutan-1-ol
CID 59414974
4-[tert-butyl(diphenyl)silyl]oxypyrrolidine-2-carboxylic acid
CID 71317354
tert-butyl (2R,4R)-2-[(E,1S)-1-[benzyl(hydroxy)amino]-4-methoxy-4-oxobut-2-enyl]-4-[tert-butyl(diphenyl)silyl]oxypyrrolidine-1-carboxylate
CID 100985090
1-[(1R,5R)-3-[tert-butyl(diphenyl)silyl]oxy-6-bicyclo[3.1.0]hexanyl]ethanone
CID 129323384

Frequently Asked Questions

What is the IUPAC name of (4S)-4-[tert-butyl(diphenyl)silyl]oxy-1-methoxycarbonylpyrrolidine-2-carboxylic acid?
The IUPAC name of (4S)-4-[tert-butyl(diphenyl)silyl]oxy-1-methoxycarbonylpyrrolidine-2-carboxylic acid (CID 175889399) is (4S)-4-[tert-butyl(diphenyl)silyl]oxy-1-methoxycarbonylpyrrolidine-2-carboxylic acid.
What is the SMILES notation for (4S)-4-[tert-butyl(diphenyl)silyl]oxy-1-methoxycarbonylpyrrolidine-2-carboxylic acid?
The canonical SMILES for (4S)-4-[tert-butyl(diphenyl)silyl]oxy-1-methoxycarbonylpyrrolidine-2-carboxylic acid is COC(=O)N1C[C@@H](O[Si](c2ccccc2)(c2ccccc2)C(C)(C)C)CC1C(=O)O.
What is the InChIKey of (4S)-4-[tert-butyl(diphenyl)silyl]oxy-1-methoxycarbonylpyrrolidine-2-carboxylic acid?
The InChIKey is CWSNORHOTZHQDJ-DIMJTDRSSA-N. The full InChI is InChI=1S/C23H29NO5Si/c1-23(2,3)30(18-11-7-5-8-12-18,19-13-9-6-10-14-19)29-17-15-20(21(25)26)24(16-17)22(27)28-4/h5-14,17,20H,15-16H2,1-4H3,(H,25,26)/t17-,20?/m0/s1.
What are the key properties of (4S)-4-[tert-butyl(diphenyl)silyl]oxy-1-methoxycarbonylpyrrolidine-2-carboxylic acid?
(4S)-4-[tert-butyl(diphenyl)silyl]oxy-1-methoxycarbonylpyrrolidine-2-carboxylic acid has a molecular weight of 427.57 g/mol, XLogP of 2.86, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (4S)-4-[tert-butyl(diphenyl)silyl]oxy-1-methoxycarbonylpyrrolidine-2-carboxylic acid is sourced from PubChem (CID 175889399), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).