N-[(1R,2S,5S)-2-[tert-butyl(dimethyl)silyl]oxy-5-hydroxycyclopent-3-en-1-yl]acetamide

C13H25NO3Si — CID 10826011

IUPACN-[(1R,2S,5S)-2-[tert-butyl(dimethyl)silyl]oxy-5-hydroxycyclopent-3-en-1-yl]acetamide
SMILESCC(=O)N[C@H]1[C@@H](O[Si](C)(C)C(C)(C)C)C=C[C@@H]1O
InChIInChI=1S/C13H25NO3Si/c1-9(15)14-12-10(16)7-8-11(12)17-18(5,6)13(2,3)4/h7-8,10-12,16H,1-6H3,(H,14,15)/t10-,11-,12+/m0/s1
InChIKeyTXANXLXUGCACDF-SDDRHHMPSA-N
MW271.43 g/mol
LogP1.81
Rot. Bonds3

About N-[(1R,2S,5S)-2-[tert-butyl(dimethyl)silyl]oxy-5-hydroxycyclopent-3-en-1-yl]acetamide

N-[(1R,2S,5S)-2-[tert-butyl(dimethyl)silyl]oxy-5-hydroxycyclopent-3-en-1-yl]acetamide (PubChem CID 10826011) has the molecular formula C13H25NO3Si and a molecular weight of 271.43 g/mol. Its IUPAC name is N-[(1R,2S,5S)-2-[tert-butyl(dimethyl)silyl]oxy-5-hydroxycyclopent-3-en-1-yl]acetamide.

Molecular Properties

Compound NameN-[(1R,2S,5S)-2-[tert-butyl(dimethyl)silyl]oxy-5-hydroxycyclopent-3-en-1-yl]acetamide
PubChem CID10826011
Molecular FormulaC13H25NO3Si
Molecular Weight271.43 g/mol
Exact Mass271.16
IUPAC NameN-[(1R,2S,5S)-2-[tert-butyl(dimethyl)silyl]oxy-5-hydroxycyclopent-3-en-1-yl]acetamide
SMILESCC(=O)N[C@H]1[C@@H](O[Si](C)(C)C(C)(C)C)C=C[C@@H]1O
InChIInChI=1S/C13H25NO3Si/c1-9(15)14-12-10(16)7-8-11(12)17-18(5,6)13(2,3)4/h7-8,10-12,16H,1-6H3,(H,14,15)/t10-,11-,12+/m0/s1
InChIKeyTXANXLXUGCACDF-SDDRHHMPSA-N
XLogP1.81
TPSA58.56 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500271.43
LogP ≤ 51.81
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

[(1S,4R,5S)-5-acetamido-4-hydroxycyclopent-2-en-1-yl] acetate
CID 10726662
(1R,2S,5S,6R)-5-[tert-butyl(dimethyl)silyl]oxy-7-oxabicyclo[4.1.0]hept-3-en-2-ol
CID 101334341
N-[(2S,3R,4S,5R)-2,4-bis[[tert-butyl(dimethyl)silyl]oxy]-5-(hydroxymethyl)oxolan-3-yl]acetamide
CID 23636276
(1R,2S,3R,6S,7R,8S)-6-[tert-butyl(dimethyl)silyl]oxytricyclo[6.2.1.02,7]undeca-4,9-dien-3-ol
CID 100948216
N-[(2S,4S,5R)-4,5-bis[[tert-butyl(dimethyl)silyl]oxy]-2-(hydroxymethyl)oxolan-3-yl]acetamide
CID 71166971
[(2R,3R,4R)-4-[tert-butyl(dimethyl)silyl]oxy-2-methyl-3,4-dihydro-2H-pyran-3-yl] acetate
CID 14054746
N-[(4aR,7R,8R,8aR)-8-[tert-butyl(dimethyl)silyl]oxy-6-hydroxy-2-phenyl-4,4a,6,7,8,8a-hexahydropyrano[3,2-d][1,3]dioxin-7-yl]acetamide
CID 169432577
N-[(3S,4R)-4-[tert-butyl(dimethyl)silyl]oxy-2-oxo-5-[(4R)-2-phenyl-1,3-dioxolan-4-yl]oxolan-3-yl]acetamide
CID 134971356
[(2S,3R,4R,5S)-3-acetamido-4,5-bis[[tert-butyl(dimethyl)silyl]oxy]oxolan-2-yl]methyl dihydrogen phosphate
CID 23634559
methyl (2S,8R,8aS)-8-[tert-butyl(dimethyl)silyl]oxy-2,3,8,8a-tetrahydro-1H-oxepino[4,3-b]pyrrole-2-carboxylate
CID 71518134
[(1S,4R)-4-[tert-butyl(dimethyl)silyl]oxycyclohex-2-en-1-yl] acetate
CID 10978542
ethyl 2-[(2S,3R,5S,6R)-3-acetamido-2-[tert-butyl(dimethyl)silyl]oxy-5-hydroxy-6-(hydroxymethyl)oxan-4-yl]acetate
CID 102509192

Frequently Asked Questions

What is the IUPAC name of N-[(1R,2S,5S)-2-[tert-butyl(dimethyl)silyl]oxy-5-hydroxycyclopent-3-en-1-yl]acetamide?
The IUPAC name of N-[(1R,2S,5S)-2-[tert-butyl(dimethyl)silyl]oxy-5-hydroxycyclopent-3-en-1-yl]acetamide (CID 10826011) is N-[(1R,2S,5S)-2-[tert-butyl(dimethyl)silyl]oxy-5-hydroxycyclopent-3-en-1-yl]acetamide.
What is the SMILES notation for N-[(1R,2S,5S)-2-[tert-butyl(dimethyl)silyl]oxy-5-hydroxycyclopent-3-en-1-yl]acetamide?
The canonical SMILES for N-[(1R,2S,5S)-2-[tert-butyl(dimethyl)silyl]oxy-5-hydroxycyclopent-3-en-1-yl]acetamide is CC(=O)N[C@H]1[C@@H](O[Si](C)(C)C(C)(C)C)C=C[C@@H]1O.
What is the InChIKey of N-[(1R,2S,5S)-2-[tert-butyl(dimethyl)silyl]oxy-5-hydroxycyclopent-3-en-1-yl]acetamide?
The InChIKey is TXANXLXUGCACDF-SDDRHHMPSA-N. The full InChI is InChI=1S/C13H25NO3Si/c1-9(15)14-12-10(16)7-8-11(12)17-18(5,6)13(2,3)4/h7-8,10-12,16H,1-6H3,(H,14,15)/t10-,11-,12+/m0/s1.
What are the key properties of N-[(1R,2S,5S)-2-[tert-butyl(dimethyl)silyl]oxy-5-hydroxycyclopent-3-en-1-yl]acetamide?
N-[(1R,2S,5S)-2-[tert-butyl(dimethyl)silyl]oxy-5-hydroxycyclopent-3-en-1-yl]acetamide has a molecular weight of 271.43 g/mol, XLogP of 1.81, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(1R,2S,5S)-2-[tert-butyl(dimethyl)silyl]oxy-5-hydroxycyclopent-3-en-1-yl]acetamide is sourced from PubChem (CID 10826011), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).