3-[tert-butyl(dimethyl)silyl]oxy-2,5-dicyclopropylpyrrolidine-1-carboxylic acid

C17H31NO3Si — CID 67314484

IUPAC3-[tert-butyl(dimethyl)silyl]oxy-2,5-dicyclopropylpyrrolidine-1-carboxylic acid
SMILESCC(C)(C)[Si](C)(C)OC1CC(C2CC2)N(C(=O)O)C1C1CC1
InChIInChI=1S/C17H31NO3Si/c1-17(2,3)22(4,5)21-14-10-13(11-6-7-11)18(16(19)20)15(14)12-8-9-12/h11-15H,6-10H2,1-5H3,(H,19,20)
InChIKeyOGBPLVXAVZQQMF-UHFFFAOYSA-N
MW325.53 g/mol
LogP4.32
Rot. Bonds4

About 3-[tert-butyl(dimethyl)silyl]oxy-2,5-dicyclopropylpyrrolidine-1-carboxylic acid

3-[tert-butyl(dimethyl)silyl]oxy-2,5-dicyclopropylpyrrolidine-1-carboxylic acid (PubChem CID 67314484) has the molecular formula C17H31NO3Si and a molecular weight of 325.53 g/mol. Its IUPAC name is 3-[tert-butyl(dimethyl)silyl]oxy-2,5-dicyclopropylpyrrolidine-1-carboxylic acid.

Molecular Properties

Compound Name3-[tert-butyl(dimethyl)silyl]oxy-2,5-dicyclopropylpyrrolidine-1-carboxylic acid
PubChem CID67314484
Molecular FormulaC17H31NO3Si
Molecular Weight325.53 g/mol
Exact Mass325.21
IUPAC Name3-[tert-butyl(dimethyl)silyl]oxy-2,5-dicyclopropylpyrrolidine-1-carboxylic acid
SMILESCC(C)(C)[Si](C)(C)OC1CC(C2CC2)N(C(=O)O)C1C1CC1
InChIInChI=1S/C17H31NO3Si/c1-17(2,3)22(4,5)21-14-10-13(11-6-7-11)18(16(19)20)15(14)12-8-9-12/h11-15H,6-10H2,1-5H3,(H,19,20)
InChIKeyOGBPLVXAVZQQMF-UHFFFAOYSA-N
XLogP4.32
TPSA49.77 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500325.53
LogP ≤ 54.32
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

Analyze 3-[tert-butyl(dimethyl)silyl]oxy-2,5-dicyclopropylpyrrolidine-1-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

(3R,4R)-3,4-bis[[tert-butyl(dimethyl)silyl]oxy]piperidine-1-carboxylic acid
CID 90311649
tert-butyl-dimethyl-[[(1R,2R,3S,5S)-2-pyrrolidin-1-yl-3-bicyclo[3.2.1]octanyl]oxy]silane
CID 102181386
(3R,4S)-4-[tert-butyl(dimethyl)silyl]oxythiane-3-carboxylic acid
CID 11680675
(1S,2S,4S,5S)-4,5-bis[[tert-butyl(dimethyl)silyl]oxy]cyclohexane-1,2-diol
CID 101111315
tert-butyl (1S,4S,5R)-5-[tert-butyl(dimethyl)silyl]oxy-2-azabicyclo[2.1.1]hexane-2-carboxylate
CID 53306128
tert-butyl-[(1S,2S)-2-[tert-butyl(dimethyl)silyl]oxycyclohexyl]oxy-dimethylsilane;tert-butyl-[(1R,2R)-2-[tert-butyl(dimethyl)silyl]oxycyclohexyl]oxy-dimethylsilane
CID 158464609
(2S,4R)-4-[tert-butyl(dimethyl)silyl]oxypiperidine-1,2-dicarboxylic acid
CID 90782508
(2S,3S,4R)-4-[tert-butyl(dimethyl)silyl]oxy-1,3-dimethylpyrrolidine-2-carboxylic acid
CID 67282800
tert-butyl (3S,4S)-3,4-bis[[tert-butyl(dimethyl)silyl]oxy]pyrrolidine-1-carboxylate
CID 135017355
(2S,4R)-4-[tert-butyl(dimethyl)silyl]oxy-2-(methoxymethyl)pyrrolidine-1-carboxylic acid
CID 69007279
(2S,3R)-3-[tert-butyl(dimethyl)silyl]oxy-1-[(2-methylpropan-2-yl)oxycarbonyl]pyrrolidine-2-carboxylic acid
CID 54215964
4-[tert-butyl(dimethyl)silyl]oxy-3-[(2-methylpropan-2-yl)oxycarbonylamino]piperidine-1-carboxylic acid
CID 67130134

Frequently Asked Questions

What is the IUPAC name of 3-[tert-butyl(dimethyl)silyl]oxy-2,5-dicyclopropylpyrrolidine-1-carboxylic acid?
The IUPAC name of 3-[tert-butyl(dimethyl)silyl]oxy-2,5-dicyclopropylpyrrolidine-1-carboxylic acid (CID 67314484) is 3-[tert-butyl(dimethyl)silyl]oxy-2,5-dicyclopropylpyrrolidine-1-carboxylic acid.
What is the SMILES notation for 3-[tert-butyl(dimethyl)silyl]oxy-2,5-dicyclopropylpyrrolidine-1-carboxylic acid?
The canonical SMILES for 3-[tert-butyl(dimethyl)silyl]oxy-2,5-dicyclopropylpyrrolidine-1-carboxylic acid is CC(C)(C)[Si](C)(C)OC1CC(C2CC2)N(C(=O)O)C1C1CC1.
What is the InChIKey of 3-[tert-butyl(dimethyl)silyl]oxy-2,5-dicyclopropylpyrrolidine-1-carboxylic acid?
The InChIKey is OGBPLVXAVZQQMF-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H31NO3Si/c1-17(2,3)22(4,5)21-14-10-13(11-6-7-11)18(16(19)20)15(14)12-8-9-12/h11-15H,6-10H2,1-5H3,(H,19,20).
What are the key properties of 3-[tert-butyl(dimethyl)silyl]oxy-2,5-dicyclopropylpyrrolidine-1-carboxylic acid?
3-[tert-butyl(dimethyl)silyl]oxy-2,5-dicyclopropylpyrrolidine-1-carboxylic acid has a molecular weight of 325.53 g/mol, XLogP of 4.32, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[tert-butyl(dimethyl)silyl]oxy-2,5-dicyclopropylpyrrolidine-1-carboxylic acid is sourced from PubChem (CID 67314484), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).