cis-(1S,2S)-N-[3-[tert-butyl(dimethyl)silyl]oxycyclopentyl]-2-(methoxymethyl)cyclopropane-1-carboxamide

C17H33NO3Si — CID 174095652

IUPACcis-(1S,2S)-N-[3-[tert-butyl(dimethyl)silyl]oxycyclopentyl]-2-(methoxymethyl)cyclopropane-1-carboxamide
SMILESCOC[C@H]1C[C@@H]1C(=O)NC1CCC(O[Si](C)(C)C(C)(C)C)C1
InChIInChI=1S/C17H33NO3Si/c1-17(2,3)22(5,6)21-14-8-7-13(10-14)18-16(19)15-9-12(15)11-20-4/h12-15H,7-11H2,1-6H3,(H,18,19)/t12-,13?,14?,15+/m1/s1
InChIKeyZIWFXJZTKLTFAZ-URGYJCLVSA-N
MW327.54 g/mol
LogP3.33
Rot. Bonds6

About cis-(1S,2S)-N-[3-[tert-butyl(dimethyl)silyl]oxycyclopentyl]-2-(methoxymethyl)cyclopropane-1-carboxamide

cis-(1S,2S)-N-[3-[tert-butyl(dimethyl)silyl]oxycyclopentyl]-2-(methoxymethyl)cyclopropane-1-carboxamide (PubChem CID 174095652) has the molecular formula C17H33NO3Si and a molecular weight of 327.54 g/mol. Its IUPAC name is cis-(1S,2S)-N-[3-[tert-butyl(dimethyl)silyl]oxycyclopentyl]-2-(methoxymethyl)cyclopropane-1-carboxamide.

Molecular Properties

Compound Namecis-(1S,2S)-N-[3-[tert-butyl(dimethyl)silyl]oxycyclopentyl]-2-(methoxymethyl)cyclopropane-1-carboxamide
PubChem CID174095652
Molecular FormulaC17H33NO3Si
Molecular Weight327.54 g/mol
Exact Mass327.22
IUPAC Namecis-(1S,2S)-N-[3-[tert-butyl(dimethyl)silyl]oxycyclopentyl]-2-(methoxymethyl)cyclopropane-1-carboxamide
SMILESCOC[C@H]1C[C@@H]1C(=O)NC1CCC(O[Si](C)(C)C(C)(C)C)C1
InChIInChI=1S/C17H33NO3Si/c1-17(2,3)22(5,6)21-14-8-7-13(10-14)18-16(19)15-9-12(15)11-20-4/h12-15H,7-11H2,1-6H3,(H,18,19)/t12-,13?,14?,15+/m1/s1
InChIKeyZIWFXJZTKLTFAZ-URGYJCLVSA-N
XLogP3.33
TPSA47.56 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500327.54
LogP ≤ 53.33
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

(2S,4R)-4-[tert-butyl(dimethyl)silyl]oxy-2-(methoxymethyl)pyrrolidine-1-carboxylic acid
CID 69007279
[(1S,2S,4R)-4-[tert-butyl(dimethyl)silyl]oxy-2-(hydroxymethyl)cyclohexyl]carbamic acid
CID 174057960
[(1R,3S)-3-[tert-butyl(dimethyl)silyl]oxycyclopentyl] acetate
CID 54211622
tert-butyl (2R)-4-[tert-butyl(dimethyl)silyl]oxy-2-formylpyrrolidine-1-carboxylate
CID 174257287
2-[4-[tert-butyl(dimethyl)silyl]oxycyclohexyl]acetic acid
CID 86587109
ethyl 3-[tert-butyl(dimethyl)silyl]oxycyclopentane-1-carboxylate
CID 141450623
ethyl 2-[(1R,3S)-3-[tert-butyl(dimethyl)silyl]oxycyclohexyl]acetate
CID 10828109
3-[tert-butyl(dimethyl)silyl]oxy-N-methylcyclobutan-1-amine
CID 170768326
cis-(1S,3R)-3-[tert-butyl(dimethyl)silyl]oxycyclohexan-1-ol
CID 14172793
tert-butyl (2R)-4-[tert-butyl(dimethyl)silyl]oxy-2-formylpiperidine-1-carboxylate
CID 174195504
tert-butyl (2S,4S)-4-[tert-butyl(dimethyl)silyl]oxy-2-formylpiperidine-1-carboxylate
CID 170939046
(2R,5R)-5-[tert-butyl(dimethyl)silyl]oxy-2-(hydroxymethyl)piperidine-1-carboxylic acid
CID 66844757

Frequently Asked Questions

What is the IUPAC name of cis-(1S,2S)-N-[3-[tert-butyl(dimethyl)silyl]oxycyclopentyl]-2-(methoxymethyl)cyclopropane-1-carboxamide?
The IUPAC name of cis-(1S,2S)-N-[3-[tert-butyl(dimethyl)silyl]oxycyclopentyl]-2-(methoxymethyl)cyclopropane-1-carboxamide (CID 174095652) is cis-(1S,2S)-N-[3-[tert-butyl(dimethyl)silyl]oxycyclopentyl]-2-(methoxymethyl)cyclopropane-1-carboxamide.
What is the SMILES notation for cis-(1S,2S)-N-[3-[tert-butyl(dimethyl)silyl]oxycyclopentyl]-2-(methoxymethyl)cyclopropane-1-carboxamide?
The canonical SMILES for cis-(1S,2S)-N-[3-[tert-butyl(dimethyl)silyl]oxycyclopentyl]-2-(methoxymethyl)cyclopropane-1-carboxamide is COC[C@H]1C[C@@H]1C(=O)NC1CCC(O[Si](C)(C)C(C)(C)C)C1.
What is the InChIKey of cis-(1S,2S)-N-[3-[tert-butyl(dimethyl)silyl]oxycyclopentyl]-2-(methoxymethyl)cyclopropane-1-carboxamide?
The InChIKey is ZIWFXJZTKLTFAZ-URGYJCLVSA-N. The full InChI is InChI=1S/C17H33NO3Si/c1-17(2,3)22(5,6)21-14-8-7-13(10-14)18-16(19)15-9-12(15)11-20-4/h12-15H,7-11H2,1-6H3,(H,18,19)/t12-,13?,14?,15+/m1/s1.
What are the key properties of cis-(1S,2S)-N-[3-[tert-butyl(dimethyl)silyl]oxycyclopentyl]-2-(methoxymethyl)cyclopropane-1-carboxamide?
cis-(1S,2S)-N-[3-[tert-butyl(dimethyl)silyl]oxycyclopentyl]-2-(methoxymethyl)cyclopropane-1-carboxamide has a molecular weight of 327.54 g/mol, XLogP of 3.33, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for cis-(1S,2S)-N-[3-[tert-butyl(dimethyl)silyl]oxycyclopentyl]-2-(methoxymethyl)cyclopropane-1-carboxamide is sourced from PubChem (CID 174095652), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).