[(1R,4S)-4-acetyloxy-5-[acetyl(prop-2-enyl)amino]cyclopent-2-en-1-yl] acetate

C14H19NO5 — CID 11448889

IUPAC[(1R,4S)-4-acetyloxy-5-[acetyl(prop-2-enyl)amino]cyclopent-2-en-1-yl] acetate
SMILESC=CCN(C(C)=O)C1[C@@H](OC(C)=O)C=C[C@H]1OC(C)=O
InChIInChI=1S/C14H19NO5/c1-5-8-15(9(2)16)14-12(19-10(3)17)6-7-13(14)20-11(4)18/h5-7,12-14H,1,8H2,2-4H3/t12-,13+,14?
InChIKeyNTYCSTPISJSKKX-PBWFPOADSA-N
MW281.31 g/mol
LogP0.82
Rot. Bonds5

About [(1R,4S)-4-acetyloxy-5-[acetyl(prop-2-enyl)amino]cyclopent-2-en-1-yl] acetate

[(1R,4S)-4-acetyloxy-5-[acetyl(prop-2-enyl)amino]cyclopent-2-en-1-yl] acetate (PubChem CID 11448889) has the molecular formula C14H19NO5 and a molecular weight of 281.31 g/mol. Its IUPAC name is [(1R,4S)-4-acetyloxy-5-[acetyl(prop-2-enyl)amino]cyclopent-2-en-1-yl] acetate.

Molecular Properties

Compound Name[(1R,4S)-4-acetyloxy-5-[acetyl(prop-2-enyl)amino]cyclopent-2-en-1-yl] acetate
PubChem CID11448889
Molecular FormulaC14H19NO5
Molecular Weight281.31 g/mol
Exact Mass281.13
IUPAC Name[(1R,4S)-4-acetyloxy-5-[acetyl(prop-2-enyl)amino]cyclopent-2-en-1-yl] acetate
SMILESC=CCN(C(C)=O)C1[C@@H](OC(C)=O)C=C[C@H]1OC(C)=O
InChIInChI=1S/C14H19NO5/c1-5-8-15(9(2)16)14-12(19-10(3)17)6-7-13(14)20-11(4)18/h5-7,12-14H,1,8H2,2-4H3/t12-,13+,14?
InChIKeyNTYCSTPISJSKKX-PBWFPOADSA-N
XLogP0.82
TPSA72.91 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500281.31
LogP ≤ 50.82
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

[(2R,3R)-1-acetyl-2-[(1S)-1-acetyloxyprop-2-enyl]-3,6-dihydro-2H-pyridin-3-yl] acetate
CID 11208287
[(1S,4R)-5-[4-[acetyl-[(2R,5S)-2,5-diacetyloxycyclopent-3-en-1-yl]amino]but-2-enylamino]-4-acetyloxycyclopent-2-en-1-yl] acetate
CID 135007306
(E)-6-((2-methoxy-2-oxoethyl)(methyl)amino)-6-oxohex-4-ene-1,3-diyl diacetate
CID 168267414
ethyl (4aS,5R,7aR)-5-methoxy-2-oxo-3,4a,5,7a-tetrahydrocyclopenta[b][1,4]oxazine-4-carboxylate
CID 10633836
3-Butoxy-2-(butoxymethyl)-1-methyl-2,3-dihydropyridin-6-one
CID 132108572
(4S)-3-acetyl-4-[(E,1S)-1-methoxybut-2-enyl]-1,3-oxazolidin-2-one
CID 147619814
tert-butyl (4S)-4-[(E,1R)-1-acetyloxypent-2-enyl]-2,2-dimethyl-1,3-oxazolidine-3-carboxylate
CID 161329008
[(1R,4S)-5-acetamido-4-acetyloxycyclopent-2-en-1-yl] acetate
CID 10705258
[(1S,4R,5R)-5-[acetyl(prop-2-enyl)amino]-4-[tert-butyl(dimethyl)silyl]oxycyclopent-2-en-1-yl] acetate
CID 11268224
[(2R,3S)-1-acetyl-2-[(1R)-1-[tert-butyl(dimethyl)silyl]oxyprop-2-enyl]-3,6-dihydro-2H-pyridin-3-yl] acetate
CID 11302655
[(1S,4R)-5-[acetyl-[(E)-4-[acetyl-[(2S,5R)-2,5-diacetyloxycyclopent-3-en-1-yl]amino]but-2-enyl]amino]-4-acetyloxycyclopent-2-en-1-yl] acetate
CID 11341615
[(5R,8S,8aR)-5-[(E)-dodec-2-enyl]-3-oxo-1,5,8,8a-tetrahydro-[1,3]oxazolo[3,4-a]pyridin-8-yl] acetate
CID 11824631

Frequently Asked Questions

What is the IUPAC name of [(1R,4S)-4-acetyloxy-5-[acetyl(prop-2-enyl)amino]cyclopent-2-en-1-yl] acetate?
The IUPAC name of [(1R,4S)-4-acetyloxy-5-[acetyl(prop-2-enyl)amino]cyclopent-2-en-1-yl] acetate (CID 11448889) is [(1R,4S)-4-acetyloxy-5-[acetyl(prop-2-enyl)amino]cyclopent-2-en-1-yl] acetate.
What is the SMILES notation for [(1R,4S)-4-acetyloxy-5-[acetyl(prop-2-enyl)amino]cyclopent-2-en-1-yl] acetate?
The canonical SMILES for [(1R,4S)-4-acetyloxy-5-[acetyl(prop-2-enyl)amino]cyclopent-2-en-1-yl] acetate is C=CCN(C(C)=O)C1[C@@H](OC(C)=O)C=C[C@H]1OC(C)=O.
What is the InChIKey of [(1R,4S)-4-acetyloxy-5-[acetyl(prop-2-enyl)amino]cyclopent-2-en-1-yl] acetate?
The InChIKey is NTYCSTPISJSKKX-PBWFPOADSA-N. The full InChI is InChI=1S/C14H19NO5/c1-5-8-15(9(2)16)14-12(19-10(3)17)6-7-13(14)20-11(4)18/h5-7,12-14H,1,8H2,2-4H3/t12-,13+,14?.
What are the key properties of [(1R,4S)-4-acetyloxy-5-[acetyl(prop-2-enyl)amino]cyclopent-2-en-1-yl] acetate?
[(1R,4S)-4-acetyloxy-5-[acetyl(prop-2-enyl)amino]cyclopent-2-en-1-yl] acetate has a molecular weight of 281.31 g/mol, XLogP of 0.82, 5 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [(1R,4S)-4-acetyloxy-5-[acetyl(prop-2-enyl)amino]cyclopent-2-en-1-yl] acetate is sourced from PubChem (CID 11448889), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).