N-[[(2S,4R)-4-[tert-butyl(dimethyl)silyl]oxypyrrolidin-2-yl]methyl]-2-fluoro-2-methylpropanamide

C15H31FN2O2Si — CID 143638651

IUPACN-[[(2S,4R)-4-[tert-butyl(dimethyl)silyl]oxypyrrolidin-2-yl]methyl]-2-fluoro-2-methylpropanamide
SMILESCC(C)(F)C(=O)NC[C@@H]1C[C@@H](O[Si](C)(C)C(C)(C)C)CN1
InChIInChI=1S/C15H31FN2O2Si/c1-14(2,3)21(6,7)20-12-8-11(17-10-12)9-18-13(19)15(4,5)16/h11-12,17H,8-10H2,1-7H3,(H,18,19)/t11-,12+/m0/s1
InChIKeyZITYOTFSZSSGLU-NWDGAFQWSA-N
MW318.51 g/mol
LogP2.60
Rot. Bonds5

About N-[[(2S,4R)-4-[tert-butyl(dimethyl)silyl]oxypyrrolidin-2-yl]methyl]-2-fluoro-2-methylpropanamide

N-[[(2S,4R)-4-[tert-butyl(dimethyl)silyl]oxypyrrolidin-2-yl]methyl]-2-fluoro-2-methylpropanamide (PubChem CID 143638651) has the molecular formula C15H31FN2O2Si and a molecular weight of 318.51 g/mol. Its IUPAC name is N-[[(2S,4R)-4-[tert-butyl(dimethyl)silyl]oxypyrrolidin-2-yl]methyl]-2-fluoro-2-methylpropanamide.

Molecular Properties

Compound NameN-[[(2S,4R)-4-[tert-butyl(dimethyl)silyl]oxypyrrolidin-2-yl]methyl]-2-fluoro-2-methylpropanamide
PubChem CID143638651
Molecular FormulaC15H31FN2O2Si
Molecular Weight318.51 g/mol
Exact Mass318.21
IUPAC NameN-[[(2S,4R)-4-[tert-butyl(dimethyl)silyl]oxypyrrolidin-2-yl]methyl]-2-fluoro-2-methylpropanamide
SMILESCC(C)(F)C(=O)NC[C@@H]1C[C@@H](O[Si](C)(C)C(C)(C)C)CN1
InChIInChI=1S/C15H31FN2O2Si/c1-14(2,3)21(6,7)20-12-8-11(17-10-12)9-18-13(19)15(4,5)16/h11-12,17H,8-10H2,1-7H3,(H,18,19)/t11-,12+/m0/s1
InChIKeyZITYOTFSZSSGLU-NWDGAFQWSA-N
XLogP2.60
TPSA50.36 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500318.51
LogP ≤ 52.60
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of N-[[(2S,4R)-4-[tert-butyl(dimethyl)silyl]oxypyrrolidin-2-yl]methyl]-2-fluoro-2-methylpropanamide?
The IUPAC name of N-[[(2S,4R)-4-[tert-butyl(dimethyl)silyl]oxypyrrolidin-2-yl]methyl]-2-fluoro-2-methylpropanamide (CID 143638651) is N-[[(2S,4R)-4-[tert-butyl(dimethyl)silyl]oxypyrrolidin-2-yl]methyl]-2-fluoro-2-methylpropanamide.
What is the SMILES notation for N-[[(2S,4R)-4-[tert-butyl(dimethyl)silyl]oxypyrrolidin-2-yl]methyl]-2-fluoro-2-methylpropanamide?
The canonical SMILES for N-[[(2S,4R)-4-[tert-butyl(dimethyl)silyl]oxypyrrolidin-2-yl]methyl]-2-fluoro-2-methylpropanamide is CC(C)(F)C(=O)NC[C@@H]1C[C@@H](O[Si](C)(C)C(C)(C)C)CN1.
What is the InChIKey of N-[[(2S,4R)-4-[tert-butyl(dimethyl)silyl]oxypyrrolidin-2-yl]methyl]-2-fluoro-2-methylpropanamide?
The InChIKey is ZITYOTFSZSSGLU-NWDGAFQWSA-N. The full InChI is InChI=1S/C15H31FN2O2Si/c1-14(2,3)21(6,7)20-12-8-11(17-10-12)9-18-13(19)15(4,5)16/h11-12,17H,8-10H2,1-7H3,(H,18,19)/t11-,12+/m0/s1.
What are the key properties of N-[[(2S,4R)-4-[tert-butyl(dimethyl)silyl]oxypyrrolidin-2-yl]methyl]-2-fluoro-2-methylpropanamide?
N-[[(2S,4R)-4-[tert-butyl(dimethyl)silyl]oxypyrrolidin-2-yl]methyl]-2-fluoro-2-methylpropanamide has a molecular weight of 318.51 g/mol, XLogP of 2.60, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[(2S,4R)-4-[tert-butyl(dimethyl)silyl]oxypyrrolidin-2-yl]methyl]-2-fluoro-2-methylpropanamide is sourced from PubChem (CID 143638651), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).