[2-(3-acetyloxy-7-oxo-6-azabicyclo[3.2.0]heptan-6-yl)-2-oxoethyl] 2-methylprop-2-enoate;[2-(3-acetyloxy-7-oxo-6-azabicyclo[3.2.0]heptan-6-yl)-2-oxoethyl] prop-2-enoate;[2-(2-acetyloxy-7-oxoazepan-1-yl)-2-oxoethyl] 2-methylprop-2-enoate;[2-(2-acetyloxy-7-oxoazepan-1-yl)-2-oxoethyl] prop-2-enoate;[2-(2-methoxy-5-oxopyrrolidin-1-yl)-2-oxoethyl] 2-methylprop-2-enoate;[2-(2-methoxy-5-oxopyrrolidin-1-yl)-2-oxoethyl] prop-2-enoate

C75H96N6O34 — CID 160815411

IUPAC[2-(3-acetyloxy-7-oxo-6-azabicyclo[3.2.0]heptan-6-yl)-2-oxoethyl] 2-methylprop-2-enoate;[2-(3-acetyloxy-7-oxo-6-azabicyclo[3.2.0]heptan-6-yl)-2-oxoethyl] prop-2-enoate;[2-(2-acetyloxy-7-oxoazepan-1-yl)-2-oxoethyl] 2-methylprop-2-enoate;[2-(2-acetyloxy-7-oxoazepan-1-yl)-2-oxoethyl] prop-2-enoate;[2-(2-methoxy-5-oxopyrrolidin-1-yl)-2-oxoethyl] 2-methylprop-2-enoate;[2-(2-methoxy-5-oxopyrrolidin-1-yl)-2-oxoethyl] prop-2-enoate
SMILESC=C(C)C(=O)OCC(=O)N1C(=O)C2CC(OC(C)=O)CC21.C=C(C)C(=O)OCC(=O)N1C(=O)CCC1OC.C=C(C)C(=O)OCC(=O)N1C(=O)CCCCC1OC(C)=O.C=CC(=O)OCC(=O)N1C(=O)C2CC(OC(C)=O)CC21.C=CC(=O)OCC(=O)N1C(=O)CCC1OC.C=CC(=O)OCC(=O)N1C(=O)CCCCC1OC(C)=O
InChIInChI=1S/C14H17NO6.C14H19NO6.C13H15NO6.C13H17NO6.C11H15NO5.C10H13NO5/c1-7(2)14(19)20-6-12(17)15-11-5-9(21-8(3)16)4-10(11)13(15)18;1-9(2)14(19)20-8-12(18)15-11(17)6-4-5-7-13(15)21-10(3)16;1-3-12(17)19-6-11(16)14-10-5-8(20-7(2)15)4-9(10)13(14)18;1-3-13(18)19-8-11(17)14-10(16)6-4-5-7-12(14)20-9(2)15;1-7(2)11(15)17-6-9(14)12-8(13)4-5-10(12)16-3;1-3-10(14)16-6-8(13)11-7(12)4-5-9(11)15-2/h9-11H,1,4-6H2,2-3H3;13H,1,4-8H2,2-3H3;3,8-10H,1,4-6H2,2H3;3,12H,1,4-8H2,2H3;10H,1,4-6H2,2-3H3;3,9H,1,4-6H2,2H3
InChIKeySEVKHQRWRNLAQE-UHFFFAOYSA-N
MW1625.60 g/mol
LogP1.50
Rot. Bonds24

About [2-(3-acetyloxy-7-oxo-6-azabicyclo[3.2.0]heptan-6-yl)-2-oxoethyl] 2-methylprop-2-enoate;[2-(3-acetyloxy-7-oxo-6-azabicyclo[3.2.0]heptan-6-yl)-2-oxoethyl] prop-2-enoate;[2-(2-acetyloxy-7-oxoazepan-1-yl)-2-oxoethyl] 2-methylprop-2-enoate;[2-(2-acetyloxy-7-oxoazepan-1-yl)-2-oxoethyl] prop-2-enoate;[2-(2-methoxy-5-oxopyrrolidin-1-yl)-2-oxoethyl] 2-methylprop-2-enoate;[2-(2-methoxy-5-oxopyrrolidin-1-yl)-2-oxoethyl] prop-2-enoate

[2-(3-acetyloxy-7-oxo-6-azabicyclo[3.2.0]heptan-6-yl)-2-oxoethyl] 2-methylprop-2-enoate;[2-(3-acetyloxy-7-oxo-6-azabicyclo[3.2.0]heptan-6-yl)-2-oxoethyl] prop-2-enoate;[2-(2-acetyloxy-7-oxoazepan-1-yl)-2-oxoethyl] 2-methylprop-2-enoate;[2-(2-acetyloxy-7-oxoazepan-1-yl)-2-oxoethyl] prop-2-enoate;[2-(2-methoxy-5-oxopyrrolidin-1-yl)-2-oxoethyl] 2-methylprop-2-enoate;[2-(2-methoxy-5-oxopyrrolidin-1-yl)-2-oxoethyl] prop-2-enoate (PubChem CID 160815411) has the molecular formula C75H96N6O34 and a molecular weight of 1625.60 g/mol. Its IUPAC name is [2-(3-acetyloxy-7-oxo-6-azabicyclo[3.2.0]heptan-6-yl)-2-oxoethyl] 2-methylprop-2-enoate;[2-(3-acetyloxy-7-oxo-6-azabicyclo[3.2.0]heptan-6-yl)-2-oxoethyl] prop-2-enoate;[2-(2-acetyloxy-7-oxoazepan-1-yl)-2-oxoethyl] 2-methylprop-2-enoate;[2-(2-acetyloxy-7-oxoazepan-1-yl)-2-oxoethyl] prop-2-enoate;[2-(2-methoxy-5-oxopyrrolidin-1-yl)-2-oxoethyl] 2-methylprop-2-enoate;[2-(2-methoxy-5-oxopyrrolidin-1-yl)-2-oxoethyl] prop-2-enoate.

Molecular Properties

Compound Name[2-(3-acetyloxy-7-oxo-6-azabicyclo[3.2.0]heptan-6-yl)-2-oxoethyl] 2-methylprop-2-enoate;[2-(3-acetyloxy-7-oxo-6-azabicyclo[3.2.0]heptan-6-yl)-2-oxoethyl] prop-2-enoate;[2-(2-acetyloxy-7-oxoazepan-1-yl)-2-oxoethyl] 2-methylprop-2-enoate;[2-(2-acetyloxy-7-oxoazepan-1-yl)-2-oxoethyl] prop-2-enoate;[2-(2-methoxy-5-oxopyrrolidin-1-yl)-2-oxoethyl] 2-methylprop-2-enoate;[2-(2-methoxy-5-oxopyrrolidin-1-yl)-2-oxoethyl] prop-2-enoate
PubChem CID160815411
Molecular FormulaC75H96N6O34
Molecular Weight1625.60 g/mol
Exact Mass1624.60
IUPAC Name[2-(3-acetyloxy-7-oxo-6-azabicyclo[3.2.0]heptan-6-yl)-2-oxoethyl] 2-methylprop-2-enoate;[2-(3-acetyloxy-7-oxo-6-azabicyclo[3.2.0]heptan-6-yl)-2-oxoethyl] prop-2-enoate;[2-(2-acetyloxy-7-oxoazepan-1-yl)-2-oxoethyl] 2-methylprop-2-enoate;[2-(2-acetyloxy-7-oxoazepan-1-yl)-2-oxoethyl] prop-2-enoate;[2-(2-methoxy-5-oxopyrrolidin-1-yl)-2-oxoethyl] 2-methylprop-2-enoate;[2-(2-methoxy-5-oxopyrrolidin-1-yl)-2-oxoethyl] prop-2-enoate
SMILESC=C(C)C(=O)OCC(=O)N1C(=O)C2CC(OC(C)=O)CC21.C=C(C)C(=O)OCC(=O)N1C(=O)CCC1OC.C=C(C)C(=O)OCC(=O)N1C(=O)CCCCC1OC(C)=O.C=CC(=O)OCC(=O)N1C(=O)C2CC(OC(C)=O)CC21.C=CC(=O)OCC(=O)N1C(=O)CCC1OC.C=CC(=O)OCC(=O)N1C(=O)CCCCC1OC(C)=O
InChIInChI=1S/C14H17NO6.C14H19NO6.C13H15NO6.C13H17NO6.C11H15NO5.C10H13NO5/c1-7(2)14(19)20-6-12(17)15-11-5-9(21-8(3)16)4-10(11)13(15)18;1-9(2)14(19)20-8-12(18)15-11(17)6-4-5-7-13(15)21-10(3)16;1-3-12(17)19-6-11(16)14-10-5-8(20-7(2)15)4-9(10)13(14)18;1-3-13(18)19-8-11(17)14-10(16)6-4-5-7-12(14)20-9(2)15;1-7(2)11(15)17-6-9(14)12-8(13)4-5-10(12)16-3;1-3-10(14)16-6-8(13)11-7(12)4-5-9(11)15-2/h9-11H,1,4-6H2,2-3H3;13H,1,4-8H2,2-3H3;3,8-10H,1,4-6H2,2H3;3,12H,1,4-8H2,2H3;10H,1,4-6H2,2-3H3;3,9H,1,4-6H2,2H3
InChIKeySEVKHQRWRNLAQE-UHFFFAOYSA-N
XLogP1.50
TPSA505.74 Ų
H-Bond Donors
H-Bond Acceptors34
Rotatable Bonds24
Heavy Atoms115
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 5001625.60
LogP ≤ 51.50
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 1034

Computed Properties (RDKit)

Structural Alerts{'alert_name': '>_2_ester_groups', 'substructure': 'N/A'}, {'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}

Analyze [2-(3-acetyloxy-7-oxo-6-azabicyclo[3.2.0]heptan-6-yl)-2-oxoethyl] 2-methylprop-2-enoate;[2-(3-acetyloxy-7-oxo-6-azabicyclo[3.2.0]heptan-6-yl)-2-oxoethyl] prop-2-enoate;[2-(2-acetyloxy-7-oxoazepan-1-yl)-2-oxoethyl] 2-methylprop-2-enoate;[2-(2-acetyloxy-7-oxoazepan-1-yl)-2-oxoethyl] prop-2-enoate;[2-(2-methoxy-5-oxopyrrolidin-1-yl)-2-oxoethyl] 2-methylprop-2-enoate;[2-(2-methoxy-5-oxopyrrolidin-1-yl)-2-oxoethyl] prop-2-enoate with MolForge

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Launch Full Analysis

Related Compounds

[2-(2-acetyloxy-7-oxoazepan-1-yl)-2-oxoethyl] 2-methylprop-2-enoate
CID 66795830
[2-(2-acetyloxy-4-oxoazetidin-1-yl)-2-oxoethyl] 2-methylprop-2-enoate;[2-(3-fluoro-7-oxo-6-azabicyclo[3.2.0]heptan-6-yl)-2-oxoethyl] 2-methylprop-2-enoate;[2-(10-fluoro-5-oxo-4-azatetracyclo[7.2.1.02,8.03,6]dodecan-4-yl)-2-oxoethyl] 2-methylprop-2-enoate;[2-(10-hydroxy-5-oxo-4-azatetracyclo[7.2.1.02,8.03,6]dodecan-4-yl)-2-oxoethyl] 2-methylprop-2-enoate
CID 159771944
[2-(10-acetyloxy-5-oxo-4-azatetracyclo[7.2.1.02,8.03,6]dodecan-4-yl)-2-oxoethyl] 2-methylprop-2-enoate
CID 66795966
[3-oxo-3-(9-oxo-8-azabicyclo[5.2.0]nonan-8-yl)propyl] 2-methylprop-2-enoate
CID 67963825
cyclohexyl 2-methylprop-2-enoate;2-methoxyethyl prop-2-enoate
CID 159401375
cyclobutyl 2-methylprop-2-enoate;ethyl prop-2-enoate
CID 70467562
cyclopentyl prop-2-enoate;2-methylpropyl 2-methylprop-2-enoate
CID 175472887
2,3,3a,4,5,6,7,7a-octahydro-1H-inden-2-yl acetate
CID 142155546
cyclopentyl acetate;methyl 2-methylprop-2-enoate
CID 174985649
cyclohexyl prop-2-enoate;2-methylprop-1-ene
CID 174895643
hexakis(hydroxymethyl 2-methylprop-2-enoate);hexakis(hydroxymethyl prop-2-enoate);methane
CID 160775085
methyl 2-methylprop-2-enoate;oxiran-2-ylmethyl 2-methylprop-2-enoate;oxolan-2-ylmethyl prop-2-enoate
CID 87428070

Frequently Asked Questions

What is the IUPAC name of [2-(3-acetyloxy-7-oxo-6-azabicyclo[3.2.0]heptan-6-yl)-2-oxoethyl] 2-methylprop-2-enoate;[2-(3-acetyloxy-7-oxo-6-azabicyclo[3.2.0]heptan-6-yl)-2-oxoethyl] prop-2-enoate;[2-(2-acetyloxy-7-oxoazepan-1-yl)-2-oxoethyl] 2-methylprop-2-enoate;[2-(2-acetyloxy-7-oxoazepan-1-yl)-2-oxoethyl] prop-2-enoate;[2-(2-methoxy-5-oxopyrrolidin-1-yl)-2-oxoethyl] 2-methylprop-2-enoate;[2-(2-methoxy-5-oxopyrrolidin-1-yl)-2-oxoethyl] prop-2-enoate?
The IUPAC name of [2-(3-acetyloxy-7-oxo-6-azabicyclo[3.2.0]heptan-6-yl)-2-oxoethyl] 2-methylprop-2-enoate;[2-(3-acetyloxy-7-oxo-6-azabicyclo[3.2.0]heptan-6-yl)-2-oxoethyl] prop-2-enoate;[2-(2-acetyloxy-7-oxoazepan-1-yl)-2-oxoethyl] 2-methylprop-2-enoate;[2-(2-acetyloxy-7-oxoazepan-1-yl)-2-oxoethyl] prop-2-enoate;[2-(2-methoxy-5-oxopyrrolidin-1-yl)-2-oxoethyl] 2-methylprop-2-enoate;[2-(2-methoxy-5-oxopyrrolidin-1-yl)-2-oxoethyl] prop-2-enoate (CID 160815411) is [2-(3-acetyloxy-7-oxo-6-azabicyclo[3.2.0]heptan-6-yl)-2-oxoethyl] 2-methylprop-2-enoate;[2-(3-acetyloxy-7-oxo-6-azabicyclo[3.2.0]heptan-6-yl)-2-oxoethyl] prop-2-enoate;[2-(2-acetyloxy-7-oxoazepan-1-yl)-2-oxoethyl] 2-methylprop-2-enoate;[2-(2-acetyloxy-7-oxoazepan-1-yl)-2-oxoethyl] prop-2-enoate;[2-(2-methoxy-5-oxopyrrolidin-1-yl)-2-oxoethyl] 2-methylprop-2-enoate;[2-(2-methoxy-5-oxopyrrolidin-1-yl)-2-oxoethyl] prop-2-enoate.
What is the SMILES notation for [2-(3-acetyloxy-7-oxo-6-azabicyclo[3.2.0]heptan-6-yl)-2-oxoethyl] 2-methylprop-2-enoate;[2-(3-acetyloxy-7-oxo-6-azabicyclo[3.2.0]heptan-6-yl)-2-oxoethyl] prop-2-enoate;[2-(2-acetyloxy-7-oxoazepan-1-yl)-2-oxoethyl] 2-methylprop-2-enoate;[2-(2-acetyloxy-7-oxoazepan-1-yl)-2-oxoethyl] prop-2-enoate;[2-(2-methoxy-5-oxopyrrolidin-1-yl)-2-oxoethyl] 2-methylprop-2-enoate;[2-(2-methoxy-5-oxopyrrolidin-1-yl)-2-oxoethyl] prop-2-enoate?
The canonical SMILES for [2-(3-acetyloxy-7-oxo-6-azabicyclo[3.2.0]heptan-6-yl)-2-oxoethyl] 2-methylprop-2-enoate;[2-(3-acetyloxy-7-oxo-6-azabicyclo[3.2.0]heptan-6-yl)-2-oxoethyl] prop-2-enoate;[2-(2-acetyloxy-7-oxoazepan-1-yl)-2-oxoethyl] 2-methylprop-2-enoate;[2-(2-acetyloxy-7-oxoazepan-1-yl)-2-oxoethyl] prop-2-enoate;[2-(2-methoxy-5-oxopyrrolidin-1-yl)-2-oxoethyl] 2-methylprop-2-enoate;[2-(2-methoxy-5-oxopyrrolidin-1-yl)-2-oxoethyl] prop-2-enoate is C=C(C)C(=O)OCC(=O)N1C(=O)C2CC(OC(C)=O)CC21.C=C(C)C(=O)OCC(=O)N1C(=O)CCC1OC.C=C(C)C(=O)OCC(=O)N1C(=O)CCCCC1OC(C)=O.C=CC(=O)OCC(=O)N1C(=O)C2CC(OC(C)=O)CC21.C=CC(=O)OCC(=O)N1C(=O)CCC1OC.C=CC(=O)OCC(=O)N1C(=O)CCCCC1OC(C)=O.
What is the InChIKey of [2-(3-acetyloxy-7-oxo-6-azabicyclo[3.2.0]heptan-6-yl)-2-oxoethyl] 2-methylprop-2-enoate;[2-(3-acetyloxy-7-oxo-6-azabicyclo[3.2.0]heptan-6-yl)-2-oxoethyl] prop-2-enoate;[2-(2-acetyloxy-7-oxoazepan-1-yl)-2-oxoethyl] 2-methylprop-2-enoate;[2-(2-acetyloxy-7-oxoazepan-1-yl)-2-oxoethyl] prop-2-enoate;[2-(2-methoxy-5-oxopyrrolidin-1-yl)-2-oxoethyl] 2-methylprop-2-enoate;[2-(2-methoxy-5-oxopyrrolidin-1-yl)-2-oxoethyl] prop-2-enoate?
The InChIKey is SEVKHQRWRNLAQE-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H17NO6.C14H19NO6.C13H15NO6.C13H17NO6.C11H15NO5.C10H13NO5/c1-7(2)14(19)20-6-12(17)15-11-5-9(21-8(3)16)4-10(11)13(15)18;1-9(2)14(19)20-8-12(18)15-11(17)6-4-5-7-13(15)21-10(3)16;1-3-12(17)19-6-11(16)14-10-5-8(20-7(2)15)4-9(10)13(14)18;1-3-13(18)19-8-11(17)14-10(16)6-4-5-7-12(14)20-9(2)15;1-7(2)11(15)17-6-9(14)12-8(13)4-5-10(12)16-3;1-3-10(14)16-6-8(13)11-7(12)4-5-9(11)15-2/h9-11H,1,4-6H2,2-3H3;13H,1,4-8H2,2-3H3;3,8-10H,1,4-6H2,2H3;3,12H,1,4-8H2,2H3;10H,1,4-6H2,2-3H3;3,9H,1,4-6H2,2H3.
What are the key properties of [2-(3-acetyloxy-7-oxo-6-azabicyclo[3.2.0]heptan-6-yl)-2-oxoethyl] 2-methylprop-2-enoate;[2-(3-acetyloxy-7-oxo-6-azabicyclo[3.2.0]heptan-6-yl)-2-oxoethyl] prop-2-enoate;[2-(2-acetyloxy-7-oxoazepan-1-yl)-2-oxoethyl] 2-methylprop-2-enoate;[2-(2-acetyloxy-7-oxoazepan-1-yl)-2-oxoethyl] prop-2-enoate;[2-(2-methoxy-5-oxopyrrolidin-1-yl)-2-oxoethyl] 2-methylprop-2-enoate;[2-(2-methoxy-5-oxopyrrolidin-1-yl)-2-oxoethyl] prop-2-enoate?
[2-(3-acetyloxy-7-oxo-6-azabicyclo[3.2.0]heptan-6-yl)-2-oxoethyl] 2-methylprop-2-enoate;[2-(3-acetyloxy-7-oxo-6-azabicyclo[3.2.0]heptan-6-yl)-2-oxoethyl] prop-2-enoate;[2-(2-acetyloxy-7-oxoazepan-1-yl)-2-oxoethyl] 2-methylprop-2-enoate;[2-(2-acetyloxy-7-oxoazepan-1-yl)-2-oxoethyl] prop-2-enoate;[2-(2-methoxy-5-oxopyrrolidin-1-yl)-2-oxoethyl] 2-methylprop-2-enoate;[2-(2-methoxy-5-oxopyrrolidin-1-yl)-2-oxoethyl] prop-2-enoate has a molecular weight of 1625.60 g/mol, XLogP of 1.50, 24 rotatable bonds, 0 hydrogen bond donors, and 34 hydrogen bond acceptors.
Where does this data come from?
All data for [2-(3-acetyloxy-7-oxo-6-azabicyclo[3.2.0]heptan-6-yl)-2-oxoethyl] 2-methylprop-2-enoate;[2-(3-acetyloxy-7-oxo-6-azabicyclo[3.2.0]heptan-6-yl)-2-oxoethyl] prop-2-enoate;[2-(2-acetyloxy-7-oxoazepan-1-yl)-2-oxoethyl] 2-methylprop-2-enoate;[2-(2-acetyloxy-7-oxoazepan-1-yl)-2-oxoethyl] prop-2-enoate;[2-(2-methoxy-5-oxopyrrolidin-1-yl)-2-oxoethyl] 2-methylprop-2-enoate;[2-(2-methoxy-5-oxopyrrolidin-1-yl)-2-oxoethyl] prop-2-enoate is sourced from PubChem (CID 160815411), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).