2-(2-oxopropanoylamino)butyl 2-methylprop-2-enoate

C11H17NO4 — CID 87759057

IUPAC2-(2-oxopropanoylamino)butyl 2-methylprop-2-enoate
SMILESC=C(C)C(=O)OCC(CC)NC(=O)C(C)=O
InChIInChI=1S/C11H17NO4/c1-5-9(12-10(14)8(4)13)6-16-11(15)7(2)3/h9H,2,5-6H2,1,3-4H3,(H,12,14)
InChIKeyWSAULJLHFPHDKS-UHFFFAOYSA-N
MW227.26 g/mol
LogP0.59
Rot. Bonds6

About 2-(2-oxopropanoylamino)butyl 2-methylprop-2-enoate

2-(2-oxopropanoylamino)butyl 2-methylprop-2-enoate (PubChem CID 87759057) has the molecular formula C11H17NO4 and a molecular weight of 227.26 g/mol. Its IUPAC name is 2-(2-oxopropanoylamino)butyl 2-methylprop-2-enoate.

Molecular Properties

Compound Name2-(2-oxopropanoylamino)butyl 2-methylprop-2-enoate
PubChem CID87759057
Molecular FormulaC11H17NO4
Molecular Weight227.26 g/mol
Exact Mass227.12
IUPAC Name2-(2-oxopropanoylamino)butyl 2-methylprop-2-enoate
SMILESC=C(C)C(=O)OCC(CC)NC(=O)C(C)=O
InChIInChI=1S/C11H17NO4/c1-5-9(12-10(14)8(4)13)6-16-11(15)7(2)3/h9H,2,5-6H2,1,3-4H3,(H,12,14)
InChIKeyWSAULJLHFPHDKS-UHFFFAOYSA-N
XLogP0.59
TPSA72.47 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500227.26
LogP ≤ 50.59
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

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2-[(3-Oxobutanoyl)amino]ethyl 2-methylprop-2-enoate
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2-methylprop-2-enyl (2S)-2-[(2-methylpropan-2-yl)oxycarbonylamino]propanoate
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2-(Propanoylamino)ethyl 2-methylprop-2-enoate
CID 13750340
[3-[[2-(1-Methoxy-2-methylpropan-2-yl)oxy-2-oxoethyl]amino]-3-oxopropyl] 2-methylprop-2-enoate
CID 20643829
[3-[[2-(1-Methoxypropan-2-yloxy)-2-oxoethyl]amino]-3-oxopropyl] 2-methylprop-2-enoate
CID 20643839
[3-[[2-(2-Methoxyethoxy)-2-oxoethyl]amino]-3-oxopropyl] 2-methylprop-2-enoate
CID 20643843
[3-[[1-[2-(Dimethylamino)ethoxy]-1-oxopropan-2-yl]amino]-3-oxopropyl] 2-methylprop-2-enoate
CID 20659230
[3-[[2-[2-(Diethylamino)ethoxy]-2-oxoethyl]amino]-3-oxopropyl] 2-methylprop-2-enoate
CID 20659287

Frequently Asked Questions

What is the IUPAC name of 2-(2-oxopropanoylamino)butyl 2-methylprop-2-enoate?
The IUPAC name of 2-(2-oxopropanoylamino)butyl 2-methylprop-2-enoate (CID 87759057) is 2-(2-oxopropanoylamino)butyl 2-methylprop-2-enoate.
What is the SMILES notation for 2-(2-oxopropanoylamino)butyl 2-methylprop-2-enoate?
The canonical SMILES for 2-(2-oxopropanoylamino)butyl 2-methylprop-2-enoate is C=C(C)C(=O)OCC(CC)NC(=O)C(C)=O.
What is the InChIKey of 2-(2-oxopropanoylamino)butyl 2-methylprop-2-enoate?
The InChIKey is WSAULJLHFPHDKS-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H17NO4/c1-5-9(12-10(14)8(4)13)6-16-11(15)7(2)3/h9H,2,5-6H2,1,3-4H3,(H,12,14).
What are the key properties of 2-(2-oxopropanoylamino)butyl 2-methylprop-2-enoate?
2-(2-oxopropanoylamino)butyl 2-methylprop-2-enoate has a molecular weight of 227.26 g/mol, XLogP of 0.59, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-oxopropanoylamino)butyl 2-methylprop-2-enoate is sourced from PubChem (CID 87759057), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).