2-[(3R)-3-[tert-butyl(dimethyl)silyl]oxypyrrolidin-1-yl]propane-1,3-diol

C13H29NO3Si — CID 155699527

IUPAC2-[(3R)-3-[tert-butyl(dimethyl)silyl]oxypyrrolidin-1-yl]propane-1,3-diol
SMILESCC(C)(C)[Si](C)(C)O[C@@H]1CCN(C(CO)CO)C1
InChIInChI=1S/C13H29NO3Si/c1-13(2,3)18(4,5)17-12-6-7-14(8-12)11(9-15)10-16/h11-12,15-16H,6-10H2,1-5H3/t12-/m1/s1
InChIKeyAUKDFTNBLSBNHT-GFCCVEGCSA-N
MW275.47 g/mol
LogP1.44
Rot. Bonds5

About 2-[(3R)-3-[tert-butyl(dimethyl)silyl]oxypyrrolidin-1-yl]propane-1,3-diol

2-[(3R)-3-[tert-butyl(dimethyl)silyl]oxypyrrolidin-1-yl]propane-1,3-diol (PubChem CID 155699527) has the molecular formula C13H29NO3Si and a molecular weight of 275.47 g/mol. Its IUPAC name is 2-[(3R)-3-[tert-butyl(dimethyl)silyl]oxypyrrolidin-1-yl]propane-1,3-diol.

Molecular Properties

Compound Name2-[(3R)-3-[tert-butyl(dimethyl)silyl]oxypyrrolidin-1-yl]propane-1,3-diol
PubChem CID155699527
Molecular FormulaC13H29NO3Si
Molecular Weight275.47 g/mol
Exact Mass275.19
IUPAC Name2-[(3R)-3-[tert-butyl(dimethyl)silyl]oxypyrrolidin-1-yl]propane-1,3-diol
SMILESCC(C)(C)[Si](C)(C)O[C@@H]1CCN(C(CO)CO)C1
InChIInChI=1S/C13H29NO3Si/c1-13(2,3)18(4,5)17-12-6-7-14(8-12)11(9-15)10-16/h11-12,15-16H,6-10H2,1-5H3/t12-/m1/s1
InChIKeyAUKDFTNBLSBNHT-GFCCVEGCSA-N
XLogP1.44
TPSA52.93 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500275.47
LogP ≤ 51.44
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

Analyze 2-[(3R)-3-[tert-butyl(dimethyl)silyl]oxypyrrolidin-1-yl]propane-1,3-diol 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

tert-butyl-(1-hydroxypyrrolidin-3-yl)oxy-dimethylsilane
CID 85204387
[(2S,4S)-4-[tert-butyl(dimethyl)silyl]oxy-1-methylpyrrolidin-2-yl]methanol
CID 145222779
[3-[tert-butyl(dimethyl)silyl]oxycyclobutyl]methanol
CID 66698189
(2R,5R)-5-[tert-butyl(dimethyl)silyl]oxy-2-(hydroxymethyl)piperidine-1-carboxylic acid
CID 66844757
tert-butyl 3-[tert-butyl(dimethyl)silyl]oxypiperidine-1-carboxylate
CID 174041768
[1-(4-bromophenyl)pyrrolidin-3-yl]oxy-tert-butyl-dimethylsilane
CID 67148861
[(2S,8R)-2-[tert-butyl(dimethyl)silyl]oxy-1,2,3,5,6,7-hexahydropyrrolizin-8-yl]methanol
CID 164521802
N-[(2R)-2-[(3S)-3-[tert-butyl(dimethyl)silyl]oxypyrrolidin-1-yl]-2-phenylethyl]-1-(3,5-dichlorophenyl)-N-methylmethanesulfonamide
CID 67839488
[3-[tert-butyl(dimethyl)silyl]oxy-1-(hydroxymethyl)cyclopentyl]methanol
CID 140956891
(1S)-2-[(3S)-3-[tert-butyl(dimethyl)silyl]oxypyrrolidin-1-yl]-1-[4-(trifluoromethoxy)phenyl]ethanol
CID 131741907
[(3R)-3-[tert-butyl(dimethyl)silyl]oxypyrrolidin-1-yl]-imidazol-1-ylmethanone
CID 171461010
tert-butyl-dimethyl-[1-[4-[2-(4-methylcyclohexyl)ethyl]phenyl]pyrrolidin-3-yl]oxysilane
CID 59546367

Frequently Asked Questions

What is the IUPAC name of 2-[(3R)-3-[tert-butyl(dimethyl)silyl]oxypyrrolidin-1-yl]propane-1,3-diol?
The IUPAC name of 2-[(3R)-3-[tert-butyl(dimethyl)silyl]oxypyrrolidin-1-yl]propane-1,3-diol (CID 155699527) is 2-[(3R)-3-[tert-butyl(dimethyl)silyl]oxypyrrolidin-1-yl]propane-1,3-diol.
What is the SMILES notation for 2-[(3R)-3-[tert-butyl(dimethyl)silyl]oxypyrrolidin-1-yl]propane-1,3-diol?
The canonical SMILES for 2-[(3R)-3-[tert-butyl(dimethyl)silyl]oxypyrrolidin-1-yl]propane-1,3-diol is CC(C)(C)[Si](C)(C)O[C@@H]1CCN(C(CO)CO)C1.
What is the InChIKey of 2-[(3R)-3-[tert-butyl(dimethyl)silyl]oxypyrrolidin-1-yl]propane-1,3-diol?
The InChIKey is AUKDFTNBLSBNHT-GFCCVEGCSA-N. The full InChI is InChI=1S/C13H29NO3Si/c1-13(2,3)18(4,5)17-12-6-7-14(8-12)11(9-15)10-16/h11-12,15-16H,6-10H2,1-5H3/t12-/m1/s1.
What are the key properties of 2-[(3R)-3-[tert-butyl(dimethyl)silyl]oxypyrrolidin-1-yl]propane-1,3-diol?
2-[(3R)-3-[tert-butyl(dimethyl)silyl]oxypyrrolidin-1-yl]propane-1,3-diol has a molecular weight of 275.47 g/mol, XLogP of 1.44, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(3R)-3-[tert-butyl(dimethyl)silyl]oxypyrrolidin-1-yl]propane-1,3-diol is sourced from PubChem (CID 155699527), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).