2-[tert-butyl(dimethyl)silyl]oxyethyl-pyrrolidin-3-ylcarbamic acid

C13H28N2O3Si — CID 67183803

IUPAC2-[tert-butyl(dimethyl)silyl]oxyethyl-pyrrolidin-3-ylcarbamic acid
SMILESCC(C)(C)[Si](C)(C)OCCN(C(=O)O)C1CCNC1
InChIInChI=1S/C13H28N2O3Si/c1-13(2,3)19(4,5)18-9-8-15(12(16)17)11-6-7-14-10-11/h11,14H,6-10H2,1-5H3,(H,16,17)
InChIKeyVLDOSTDITGFMLC-UHFFFAOYSA-N
MW288.46 g/mol
LogP2.35
Rot. Bonds5

About 2-[tert-butyl(dimethyl)silyl]oxyethyl-pyrrolidin-3-ylcarbamic acid

2-[tert-butyl(dimethyl)silyl]oxyethyl-pyrrolidin-3-ylcarbamic acid (PubChem CID 67183803) has the molecular formula C13H28N2O3Si and a molecular weight of 288.46 g/mol. Its IUPAC name is 2-[tert-butyl(dimethyl)silyl]oxyethyl-pyrrolidin-3-ylcarbamic acid.

Molecular Properties

Compound Name2-[tert-butyl(dimethyl)silyl]oxyethyl-pyrrolidin-3-ylcarbamic acid
PubChem CID67183803
Molecular FormulaC13H28N2O3Si
Molecular Weight288.46 g/mol
Exact Mass288.19
IUPAC Name2-[tert-butyl(dimethyl)silyl]oxyethyl-pyrrolidin-3-ylcarbamic acid
SMILESCC(C)(C)[Si](C)(C)OCCN(C(=O)O)C1CCNC1
InChIInChI=1S/C13H28N2O3Si/c1-13(2,3)19(4,5)18-9-8-15(12(16)17)11-6-7-14-10-11/h11,14H,6-10H2,1-5H3,(H,16,17)
InChIKeyVLDOSTDITGFMLC-UHFFFAOYSA-N
XLogP2.35
TPSA61.80 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500288.46
LogP ≤ 52.35
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 N-(2-fluoroethyl)-N-[(3R)-pyrrolidin-3-yl]carbamate
CID 87304052
2-[bis[2-[tert-butyl(dimethyl)silyl]oxyethyl]amino]acetic acid
CID 18751403
3-propan-2-yloxy-N-propyl-N-pyrrolidin-3-ylpropanamide
CID 119530419
tert-butyl N-(3-fluoropropyl)-N-[(3S)-pyrrolidin-3-yl]carbamate
CID 58365097
methyl-[(3S)-pyrrolidin-3-yl]carbamic acid
CID 66936290
ethyl N-ethyl-N-pyrrolidin-3-ylcarbamate
CID 60805526
N-propyl-N-pyrrolidin-3-yl-3-(2,2,2-trifluoroethoxy)propanamide
CID 103806546
2-(2-ethoxyethoxy)-N-propyl-N-pyrrolidin-3-ylacetamide;hydrochloride
CID 119530470
5-methoxy-N-propyl-N-pyrrolidin-3-ylpentanamide
CID 119531804
1-methyl-N-propyl-N-pyrrolidin-3-ylpiperidine-4-carboxamide
CID 119533022
N-ethyl-3,4,4-trimethyl-N-pyrrolidin-3-ylpentanamide
CID 63833754
tert-butyl-dimethyl-[[(3S)-piperidin-3-yl]methoxy]silane
CID 150934264

Frequently Asked Questions

What is the IUPAC name of 2-[tert-butyl(dimethyl)silyl]oxyethyl-pyrrolidin-3-ylcarbamic acid?
The IUPAC name of 2-[tert-butyl(dimethyl)silyl]oxyethyl-pyrrolidin-3-ylcarbamic acid (CID 67183803) is 2-[tert-butyl(dimethyl)silyl]oxyethyl-pyrrolidin-3-ylcarbamic acid.
What is the SMILES notation for 2-[tert-butyl(dimethyl)silyl]oxyethyl-pyrrolidin-3-ylcarbamic acid?
The canonical SMILES for 2-[tert-butyl(dimethyl)silyl]oxyethyl-pyrrolidin-3-ylcarbamic acid is CC(C)(C)[Si](C)(C)OCCN(C(=O)O)C1CCNC1.
What is the InChIKey of 2-[tert-butyl(dimethyl)silyl]oxyethyl-pyrrolidin-3-ylcarbamic acid?
The InChIKey is VLDOSTDITGFMLC-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H28N2O3Si/c1-13(2,3)19(4,5)18-9-8-15(12(16)17)11-6-7-14-10-11/h11,14H,6-10H2,1-5H3,(H,16,17).
What are the key properties of 2-[tert-butyl(dimethyl)silyl]oxyethyl-pyrrolidin-3-ylcarbamic acid?
2-[tert-butyl(dimethyl)silyl]oxyethyl-pyrrolidin-3-ylcarbamic acid has a molecular weight of 288.46 g/mol, XLogP of 2.35, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[tert-butyl(dimethyl)silyl]oxyethyl-pyrrolidin-3-ylcarbamic acid is sourced from PubChem (CID 67183803), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).