[2-methyl-2-(3-oxobutanoylamino)propyl] 2-methylprop-2-enoate;[2-methyl-2-(3-oxobutanoylamino)propyl] prop-2-enoate;4-(2-methylprop-2-enoyloxy)butyl 3-oxobutanoate;2-[2-(2-methylprop-2-enoyloxy)ethoxy]ethyl 3-oxobutanoate;2-(2-methylprop-2-enoyloxy)ethyl 3-oxobutanoate;1-(2-methylprop-2-enoyloxy)propan-2-yl 3-oxobutanoate;3-(2-methylprop-2-enoyloxy)propyl 3-oxobutanoate;4-prop-2-enoyloxybutyl 3-oxobutanoate;2-(2-prop-2-enoyloxyethoxy)ethyl 3-oxobutanoate;2-prop-2-enoyloxyethyl 3-oxobutanoate;1-prop-2-enoyloxypropan-2-yl 3-oxobutanoate;3-prop-2-enoyloxypropyl 3-oxobutanoate

C130H190N2O60 — CID 158151141

About [2-methyl-2-(3-oxobutanoylamino)propyl] 2-methylprop-2-enoate;[2-methyl-2-(3-oxobutanoylamino)propyl] prop-2-enoate;4-(2-methylprop-2-enoyloxy)butyl 3-oxobutanoate;2-[2-(2-methylprop-2-enoyloxy)ethoxy]ethyl 3-oxobutanoate;2-(2-methylprop-2-enoyloxy)ethyl 3-oxobutanoate;1-(2-methylprop-2-enoyloxy)propan-2-yl 3-oxobutanoate;3-(2-methylprop-2-enoyloxy)propyl 3-oxobutanoate;4-prop-2-enoyloxybutyl 3-oxobutanoate;2-(2-prop-2-enoyloxyethoxy)ethyl 3-oxobutanoate;2-prop-2-enoyloxyethyl 3-oxobutanoate;1-prop-2-enoyloxypropan-2-yl 3-oxobutanoate;3-prop-2-enoyloxypropyl 3-oxobutanoate

[2-methyl-2-(3-oxobutanoylamino)propyl] 2-methylprop-2-enoate;[2-methyl-2-(3-oxobutanoylamino)propyl] prop-2-enoate;4-(2-methylprop-2-enoyloxy)butyl 3-oxobutanoate;2-[2-(2-methylprop-2-enoyloxy)ethoxy]ethyl 3-oxobutanoate;2-(2-methylprop-2-enoyloxy)ethyl 3-oxobutanoate;1-(2-methylprop-2-enoyloxy)propan-2-yl 3-oxobutanoate;3-(2-methylprop-2-enoyloxy)propyl 3-oxobutanoate;4-prop-2-enoyloxybutyl 3-oxobutanoate;2-(2-prop-2-enoyloxyethoxy)ethyl 3-oxobutanoate;2-prop-2-enoyloxyethyl 3-oxobutanoate;1-prop-2-enoyloxypropan-2-yl 3-oxobutanoate;3-prop-2-enoyloxypropyl 3-oxobutanoate (PubChem CID 158151141) has the molecular formula C130H190N2O60 and a molecular weight of 2740.90 g/mol. Its IUPAC name is [2-methyl-2-(3-oxobutanoylamino)propyl] 2-methylprop-2-enoate;[2-methyl-2-(3-oxobutanoylamino)propyl] prop-2-enoate;4-(2-methylprop-2-enoyloxy)butyl 3-oxobutanoate;2-[2-(2-methylprop-2-enoyloxy)ethoxy]ethyl 3-oxobutanoate;2-(2-methylprop-2-enoyloxy)ethyl 3-oxobutanoate;1-(2-methylprop-2-enoyloxy)propan-2-yl 3-oxobutanoate;3-(2-methylprop-2-enoyloxy)propyl 3-oxobutanoate;4-prop-2-enoyloxybutyl 3-oxobutanoate;2-(2-prop-2-enoyloxyethoxy)ethyl 3-oxobutanoate;2-prop-2-enoyloxyethyl 3-oxobutanoate;1-prop-2-enoyloxypropan-2-yl 3-oxobutanoate;3-prop-2-enoyloxypropyl 3-oxobutanoate.

Molecular Properties

• Compound Name: [2-methyl-2-(3-oxobutanoylamino)propyl] 2-methylprop-2-enoate;[2-methyl-2-(3-oxobutanoylamino)propyl] prop-2-enoate;4-(2-methylprop-2-enoyloxy)butyl 3-oxobutanoate;2-[2-(2-methylprop-2-enoyloxy)ethoxy]ethyl 3-oxobutanoate;2-(2-methylprop-2-enoyloxy)ethyl 3-oxobutanoate;1-(2-methylprop-2-enoyloxy)propan-2-yl 3-oxobutanoate;3-(2-methylprop-2-enoyloxy)propyl 3-oxobutanoate;4-prop-2-enoyloxybutyl 3-oxobutanoate;2-(2-prop-2-enoyloxyethoxy)ethyl 3-oxobutanoate;2-prop-2-enoyloxyethyl 3-oxobutanoate;1-prop-2-enoyloxypropan-2-yl 3-oxobutanoate;3-prop-2-enoyloxypropyl 3-oxobutanoate
• PubChem CID: 158151141
• Molecular Formula: C130H190N2O60
• Molecular Weight: 2740.90 g/mol
• Exact Mass: 2739.19
• IUPAC Name: [2-methyl-2-(3-oxobutanoylamino)propyl] 2-methylprop-2-enoate;[2-methyl-2-(3-oxobutanoylamino)propyl] prop-2-enoate;4-(2-methylprop-2-enoyloxy)butyl 3-oxobutanoate;2-[2-(2-methylprop-2-enoyloxy)ethoxy]ethyl 3-oxobutanoate;2-(2-methylprop-2-enoyloxy)ethyl 3-oxobutanoate;1-(2-methylprop-2-enoyloxy)propan-2-yl 3-oxobutanoate;3-(2-methylprop-2-enoyloxy)propyl 3-oxobutanoate;4-prop-2-enoyloxybutyl 3-oxobutanoate;2-(2-prop-2-enoyloxyethoxy)ethyl 3-oxobutanoate;2-prop-2-enoyloxyethyl 3-oxobutanoate;1-prop-2-enoyloxypropan-2-yl 3-oxobutanoate;3-prop-2-enoyloxypropyl 3-oxobutanoate
• SMILES: C=C(C)C(=O)OCC(C)(C)NC(=O)CC(C)=O.C=C(C)C(=O)OCC(C)OC(=O)CC(C)=O.C=C(C)C(=O)OCCCCOC(=O)CC(C)=O.C=C(C)C(=O)OCCCOC(=O)CC(C)=O.C=C(C)C(=O)OCCOC(=O)CC(C)=O.C=C(C)C(=O)OCCOCCOC(=O)CC(C)=O.C=CC(=O)OCC(C)(C)NC(=O)CC(C)=O.C=CC(=O)OCC(C)OC(=O)CC(C)=O.C=CC(=O)OCCCCOC(=O)CC(C)=O.C=CC(=O)OCCCOC(=O)CC(C)=O.C=CC(=O)OCCOC(=O)CC(C)=O.C=CC(=O)OCCOCCOC(=O)CC(C)=O
• InChI: InChI=1S/C12H19NO4.C12H18O6.C12H18O5.C11H17NO4.C11H16O6.3C11H16O5.3C10H14O5.C9H12O5/c1-8(2)11(16)17-7-12(4,5)13-10(15)6-9(3)14;1-9(2)12(15)18-7-5-16-4-6-17-11(14)8-10(3)13;1-9(2)12(15)17-7-5-4-6-16-11(14)8-10(3)13;1-5-10(15)16-7-11(3,4)12-9(14)6-8(2)13;1-3-10(13)16-6-4-15-5-7-17-11(14)8-9(2)12;1-7(2)11(14)15-6-9(4)16-10(13)5-8(3)12;1-8(2)11(14)16-6-4-5-15-10(13)7-9(3)12;1-3-10(13)15-6-4-5-7-16-11(14)8-9(2)12;1-7(2)10(13)15-5-4-14-9(12)6-8(3)11;1-4-9(12)14-6-8(3)15-10(13)5-7(2)11;1-3-9(12)14-5-4-6-15-10(13)7-8(2)11;1-3-8(11)13-4-5-14-9(12)6-7(2)10/h1,6-7H2,2-5H3,(H,13,15);1,4-8H2,2-3H3;1,4-8H2,2-3H3;5H,1,6-7H2,2-4H3,(H,12,14);3H,1,4-8H2,2H3;9H,1,5-6H2,2-4H3;1,4-7H2,2-3H3;3H,1,4-8H2,2H3;1,4-6H2,2-3H3;4,8H,1,5-6H2,2-3H3;3H,1,4-7H2,2H3;3H,1,4-6H2,2H3
• InChIKey: FVCXSUILJCISOH-UHFFFAOYSA-N
• XLogP: 9.05
• TPSA: 860.10 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 60
• Rotatable Bonds: 84
• Heavy Atoms: 192
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	2740.90
LogP ≤ 5	9.05
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	60

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': '>_2_ester_groups', 'substructure': 'N/A'}, {'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'beta-keto/anhydride', 'substructure': 'N/A'}, {'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}

Frequently Asked Questions

What is the IUPAC name of [2-methyl-2-(3-oxobutanoylamino)propyl] 2-methylprop-2-enoate;[2-methyl-2-(3-oxobutanoylamino)propyl] prop-2-enoate;4-(2-methylprop-2-enoyloxy)butyl 3-oxobutanoate;2-[2-(2-methylprop-2-enoyloxy)ethoxy]ethyl 3-oxobutanoate;2-(2-methylprop-2-enoyloxy)ethyl 3-oxobutanoate;1-(2-methylprop-2-enoyloxy)propan-2-yl 3-oxobutanoate;3-(2-methylprop-2-enoyloxy)propyl 3-oxobutanoate;4-prop-2-enoyloxybutyl 3-oxobutanoate;2-(2-prop-2-enoyloxyethoxy)ethyl 3-oxobutanoate;2-prop-2-enoyloxyethyl 3-oxobutanoate;1-prop-2-enoyloxypropan-2-yl 3-oxobutanoate;3-prop-2-enoyloxypropyl 3-oxobutanoate?

The IUPAC name of [2-methyl-2-(3-oxobutanoylamino)propyl] 2-methylprop-2-enoate;[2-methyl-2-(3-oxobutanoylamino)propyl] prop-2-enoate;4-(2-methylprop-2-enoyloxy)butyl 3-oxobutanoate;2-[2-(2-methylprop-2-enoyloxy)ethoxy]ethyl 3-oxobutanoate;2-(2-methylprop-2-enoyloxy)ethyl 3-oxobutanoate;1-(2-methylprop-2-enoyloxy)propan-2-yl 3-oxobutanoate;3-(2-methylprop-2-enoyloxy)propyl 3-oxobutanoate;4-prop-2-enoyloxybutyl 3-oxobutanoate;2-(2-prop-2-enoyloxyethoxy)ethyl 3-oxobutanoate;2-prop-2-enoyloxyethyl 3-oxobutanoate;1-prop-2-enoyloxypropan-2-yl 3-oxobutanoate;3-prop-2-enoyloxypropyl 3-oxobutanoate (CID 158151141) is [2-methyl-2-(3-oxobutanoylamino)propyl] 2-methylprop-2-enoate;[2-methyl-2-(3-oxobutanoylamino)propyl] prop-2-enoate;4-(2-methylprop-2-enoyloxy)butyl 3-oxobutanoate;2-[2-(2-methylprop-2-enoyloxy)ethoxy]ethyl 3-oxobutanoate;2-(2-methylprop-2-enoyloxy)ethyl 3-oxobutanoate;1-(2-methylprop-2-enoyloxy)propan-2-yl 3-oxobutanoate;3-(2-methylprop-2-enoyloxy)propyl 3-oxobutanoate;4-prop-2-enoyloxybutyl 3-oxobutanoate;2-(2-prop-2-enoyloxyethoxy)ethyl 3-oxobutanoate;2-prop-2-enoyloxyethyl 3-oxobutanoate;1-prop-2-enoyloxypropan-2-yl 3-oxobutanoate;3-prop-2-enoyloxypropyl 3-oxobutanoate.

What is the SMILES notation for [2-methyl-2-(3-oxobutanoylamino)propyl] 2-methylprop-2-enoate;[2-methyl-2-(3-oxobutanoylamino)propyl] prop-2-enoate;4-(2-methylprop-2-enoyloxy)butyl 3-oxobutanoate;2-[2-(2-methylprop-2-enoyloxy)ethoxy]ethyl 3-oxobutanoate;2-(2-methylprop-2-enoyloxy)ethyl 3-oxobutanoate;1-(2-methylprop-2-enoyloxy)propan-2-yl 3-oxobutanoate;3-(2-methylprop-2-enoyloxy)propyl 3-oxobutanoate;4-prop-2-enoyloxybutyl 3-oxobutanoate;2-(2-prop-2-enoyloxyethoxy)ethyl 3-oxobutanoate;2-prop-2-enoyloxyethyl 3-oxobutanoate;1-prop-2-enoyloxypropan-2-yl 3-oxobutanoate;3-prop-2-enoyloxypropyl 3-oxobutanoate?

The canonical SMILES for [2-methyl-2-(3-oxobutanoylamino)propyl] 2-methylprop-2-enoate;[2-methyl-2-(3-oxobutanoylamino)propyl] prop-2-enoate;4-(2-methylprop-2-enoyloxy)butyl 3-oxobutanoate;2-[2-(2-methylprop-2-enoyloxy)ethoxy]ethyl 3-oxobutanoate;2-(2-methylprop-2-enoyloxy)ethyl 3-oxobutanoate;1-(2-methylprop-2-enoyloxy)propan-2-yl 3-oxobutanoate;3-(2-methylprop-2-enoyloxy)propyl 3-oxobutanoate;4-prop-2-enoyloxybutyl 3-oxobutanoate;2-(2-prop-2-enoyloxyethoxy)ethyl 3-oxobutanoate;2-prop-2-enoyloxyethyl 3-oxobutanoate;1-prop-2-enoyloxypropan-2-yl 3-oxobutanoate;3-prop-2-enoyloxypropyl 3-oxobutanoate is C=C(C)C(=O)OCC(C)(C)NC(=O)CC(C)=O.C=C(C)C(=O)OCC(C)OC(=O)CC(C)=O.C=C(C)C(=O)OCCCCOC(=O)CC(C)=O.C=C(C)C(=O)OCCCOC(=O)CC(C)=O.C=C(C)C(=O)OCCOC(=O)CC(C)=O.C=C(C)C(=O)OCCOCCOC(=O)CC(C)=O.C=CC(=O)OCC(C)(C)NC(=O)CC(C)=O.C=CC(=O)OCC(C)OC(=O)CC(C)=O.C=CC(=O)OCCCCOC(=O)CC(C)=O.C=CC(=O)OCCCOC(=O)CC(C)=O.C=CC(=O)OCCOC(=O)CC(C)=O.C=CC(=O)OCCOCCOC(=O)CC(C)=O.

What is the InChIKey of [2-methyl-2-(3-oxobutanoylamino)propyl] 2-methylprop-2-enoate;[2-methyl-2-(3-oxobutanoylamino)propyl] prop-2-enoate;4-(2-methylprop-2-enoyloxy)butyl 3-oxobutanoate;2-[2-(2-methylprop-2-enoyloxy)ethoxy]ethyl 3-oxobutanoate;2-(2-methylprop-2-enoyloxy)ethyl 3-oxobutanoate;1-(2-methylprop-2-enoyloxy)propan-2-yl 3-oxobutanoate;3-(2-methylprop-2-enoyloxy)propyl 3-oxobutanoate;4-prop-2-enoyloxybutyl 3-oxobutanoate;2-(2-prop-2-enoyloxyethoxy)ethyl 3-oxobutanoate;2-prop-2-enoyloxyethyl 3-oxobutanoate;1-prop-2-enoyloxypropan-2-yl 3-oxobutanoate;3-prop-2-enoyloxypropyl 3-oxobutanoate?

The InChIKey is FVCXSUILJCISOH-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H19NO4.C12H18O6.C12H18O5.C11H17NO4.C11H16O6.3C11H16O5.3C10H14O5.C9H12O5/c1-8(2)11(16)17-7-12(4,5)13-10(15)6-9(3)14;1-9(2)12(15)18-7-5-16-4-6-17-11(14)8-10(3)13;1-9(2)12(15)17-7-5-4-6-16-11(14)8-10(3)13;1-5-10(15)16-7-11(3,4)12-9(14)6-8(2)13;1-3-10(13)16-6-4-15-5-7-17-11(14)8-9(2)12;1-7(2)11(14)15-6-9(4)16-10(13)5-8(3)12;1-8(2)11(14)16-6-4-5-15-10(13)7-9(3)12;1-3-10(13)15-6-4-5-7-16-11(14)8-9(2)12;1-7(2)10(13)15-5-4-14-9(12)6-8(3)11;1-4-9(12)14-6-8(3)15-10(13)5-7(2)11;1-3-9(12)14-5-4-6-15-10(13)7-8(2)11;1-3-8(11)13-4-5-14-9(12)6-7(2)10/h1,6-7H2,2-5H3,(H,13,15);1,4-8H2,2-3H3;1,4-8H2,2-3H3;5H,1,6-7H2,2-4H3,(H,12,14);3H,1,4-8H2,2H3;9H,1,5-6H2,2-4H3;1,4-7H2,2-3H3;3H,1,4-8H2,2H3;1,4-6H2,2-3H3;4,8H,1,5-6H2,2-3H3;3H,1,4-7H2,2H3;3H,1,4-6H2,2H3.

What are the key properties of [2-methyl-2-(3-oxobutanoylamino)propyl] 2-methylprop-2-enoate;[2-methyl-2-(3-oxobutanoylamino)propyl] prop-2-enoate;4-(2-methylprop-2-enoyloxy)butyl 3-oxobutanoate;2-[2-(2-methylprop-2-enoyloxy)ethoxy]ethyl 3-oxobutanoate;2-(2-methylprop-2-enoyloxy)ethyl 3-oxobutanoate;1-(2-methylprop-2-enoyloxy)propan-2-yl 3-oxobutanoate;3-(2-methylprop-2-enoyloxy)propyl 3-oxobutanoate;4-prop-2-enoyloxybutyl 3-oxobutanoate;2-(2-prop-2-enoyloxyethoxy)ethyl 3-oxobutanoate;2-prop-2-enoyloxyethyl 3-oxobutanoate;1-prop-2-enoyloxypropan-2-yl 3-oxobutanoate;3-prop-2-enoyloxypropyl 3-oxobutanoate?

[2-methyl-2-(3-oxobutanoylamino)propyl] 2-methylprop-2-enoate;[2-methyl-2-(3-oxobutanoylamino)propyl] prop-2-enoate;4-(2-methylprop-2-enoyloxy)butyl 3-oxobutanoate;2-[2-(2-methylprop-2-enoyloxy)ethoxy]ethyl 3-oxobutanoate;2-(2-methylprop-2-enoyloxy)ethyl 3-oxobutanoate;1-(2-methylprop-2-enoyloxy)propan-2-yl 3-oxobutanoate;3-(2-methylprop-2-enoyloxy)propyl 3-oxobutanoate;4-prop-2-enoyloxybutyl 3-oxobutanoate;2-(2-prop-2-enoyloxyethoxy)ethyl 3-oxobutanoate;2-prop-2-enoyloxyethyl 3-oxobutanoate;1-prop-2-enoyloxypropan-2-yl 3-oxobutanoate;3-prop-2-enoyloxypropyl 3-oxobutanoate has a molecular weight of 2740.90 g/mol, XLogP of 9.05, 84 rotatable bonds, 2 hydrogen bond donors, and 60 hydrogen bond acceptors.

Where does this data come from?

All data for [2-methyl-2-(3-oxobutanoylamino)propyl] 2-methylprop-2-enoate;[2-methyl-2-(3-oxobutanoylamino)propyl] prop-2-enoate;4-(2-methylprop-2-enoyloxy)butyl 3-oxobutanoate;2-[2-(2-methylprop-2-enoyloxy)ethoxy]ethyl 3-oxobutanoate;2-(2-methylprop-2-enoyloxy)ethyl 3-oxobutanoate;1-(2-methylprop-2-enoyloxy)propan-2-yl 3-oxobutanoate;3-(2-methylprop-2-enoyloxy)propyl 3-oxobutanoate;4-prop-2-enoyloxybutyl 3-oxobutanoate;2-(2-prop-2-enoyloxyethoxy)ethyl 3-oxobutanoate;2-prop-2-enoyloxyethyl 3-oxobutanoate;1-prop-2-enoyloxypropan-2-yl 3-oxobutanoate;3-prop-2-enoyloxypropyl 3-oxobutanoate is sourced from PubChem (CID 158151141), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).