[(1R,4S)-5-acetamido-4-acetyloxycyclopent-2-en-1-yl] acetate

C11H15NO5 — CID 10705258

IUPAC[(1R,4S)-5-acetamido-4-acetyloxycyclopent-2-en-1-yl] acetate
SMILESCC(=O)NC1[C@@H](OC(C)=O)C=C[C@H]1OC(C)=O
InChIInChI=1S/C11H15NO5/c1-6(13)12-11-9(16-7(2)14)4-5-10(11)17-8(3)15/h4-5,9-11H,1-3H3,(H,12,13)/t9-,10+,11?
InChIKeyMTQYVHVMNFWMIV-ZACCUICWSA-N
MW241.24 g/mol
LogP-0.08
Rot. Bonds3

About [(1R,4S)-5-acetamido-4-acetyloxycyclopent-2-en-1-yl] acetate

[(1R,4S)-5-acetamido-4-acetyloxycyclopent-2-en-1-yl] acetate (PubChem CID 10705258) has the molecular formula C11H15NO5 and a molecular weight of 241.24 g/mol. Its IUPAC name is [(1R,4S)-5-acetamido-4-acetyloxycyclopent-2-en-1-yl] acetate.

Molecular Properties

Compound Name[(1R,4S)-5-acetamido-4-acetyloxycyclopent-2-en-1-yl] acetate
PubChem CID10705258
Molecular FormulaC11H15NO5
Molecular Weight241.24 g/mol
Exact Mass241.10
IUPAC Name[(1R,4S)-5-acetamido-4-acetyloxycyclopent-2-en-1-yl] acetate
SMILESCC(=O)NC1[C@@H](OC(C)=O)C=C[C@H]1OC(C)=O
InChIInChI=1S/C11H15NO5/c1-6(13)12-11-9(16-7(2)14)4-5-10(11)17-8(3)15/h4-5,9-11H,1-3H3,(H,12,13)/t9-,10+,11?
InChIKeyMTQYVHVMNFWMIV-ZACCUICWSA-N
XLogP-0.08
TPSA81.70 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500241.24
LogP ≤ 5-0.08
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

Triacetylsphingosine
CID 9888664
[(E,2S,3S)-2-acetamido-3-acetyloxyoctadec-4-enyl] acetate
CID 13395628
(2-Acetamido-3-acetyloxyoctadec-4-enyl) acetate
CID 538241
[(2S,3S,6R)-3-acetyloxy-6-ethyl-1,2,3,6-tetrahydropyridin-2-yl]methyl acetate
CID 10933640
[(2R,3R)-1-acetyl-2-[(1S)-1-acetyloxyprop-2-enyl]-3,6-dihydro-2H-pyridin-3-yl] acetate
CID 11208287
[(1R,4S)-4-acetyloxy-5-[acetyl(prop-2-enyl)amino]cyclopent-2-en-1-yl] acetate
CID 11448889
[(2S,3S,6S)-3-acetyloxy-6-ethyl-1,2,3,6-tetrahydropyridin-2-yl]methyl acetate
CID 11791340
[(2R,3S,6S)-3-acetyloxy-6-ethyl-1,2,3,6-tetrahydropyridin-2-yl]methyl acetate
CID 21592565
[(2R,3S,6R)-3-acetyloxy-6-ethyl-1,2,3,6-tetrahydropyridin-2-yl]methyl acetate
CID 21592566
[(1R,4S,5S)-4-hydroxy-5-[(2,2,2-trichloroacetyl)amino]cyclopent-2-en-1-yl] acetate
CID 25259237
2-Acetoamido-1,3-diacetoxy-9-methyl-4,8-octadecanediene
CID 72792142
2-Acetamido-1,3-diacetoxy-4,8,10-octadecatriene
CID 129725879

Frequently Asked Questions

What is the IUPAC name of [(1R,4S)-5-acetamido-4-acetyloxycyclopent-2-en-1-yl] acetate?
The IUPAC name of [(1R,4S)-5-acetamido-4-acetyloxycyclopent-2-en-1-yl] acetate (CID 10705258) is [(1R,4S)-5-acetamido-4-acetyloxycyclopent-2-en-1-yl] acetate.
What is the SMILES notation for [(1R,4S)-5-acetamido-4-acetyloxycyclopent-2-en-1-yl] acetate?
The canonical SMILES for [(1R,4S)-5-acetamido-4-acetyloxycyclopent-2-en-1-yl] acetate is CC(=O)NC1[C@@H](OC(C)=O)C=C[C@H]1OC(C)=O.
What is the InChIKey of [(1R,4S)-5-acetamido-4-acetyloxycyclopent-2-en-1-yl] acetate?
The InChIKey is MTQYVHVMNFWMIV-ZACCUICWSA-N. The full InChI is InChI=1S/C11H15NO5/c1-6(13)12-11-9(16-7(2)14)4-5-10(11)17-8(3)15/h4-5,9-11H,1-3H3,(H,12,13)/t9-,10+,11?.
What are the key properties of [(1R,4S)-5-acetamido-4-acetyloxycyclopent-2-en-1-yl] acetate?
[(1R,4S)-5-acetamido-4-acetyloxycyclopent-2-en-1-yl] acetate has a molecular weight of 241.24 g/mol, XLogP of -0.08, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [(1R,4S)-5-acetamido-4-acetyloxycyclopent-2-en-1-yl] acetate is sourced from PubChem (CID 10705258), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).