2-(2-methoxybutanoylamino)ethyl 2-methylprop-2-enoate

C11H19NO4 — CID 166937691

IUPAC2-(2-methoxybutanoylamino)ethyl 2-methylprop-2-enoate
SMILESC=C(C)C(=O)OCCNC(=O)C(CC)OC
InChIInChI=1S/C11H19NO4/c1-5-9(15-4)10(13)12-6-7-16-11(14)8(2)3/h9H,2,5-7H2,1,3-4H3,(H,12,13)
InChIKeyQFDXROJIMPNTIU-UHFFFAOYSA-N
MW229.28 g/mol
LogP0.65
Rot. Bonds7

About 2-(2-methoxybutanoylamino)ethyl 2-methylprop-2-enoate

2-(2-methoxybutanoylamino)ethyl 2-methylprop-2-enoate (PubChem CID 166937691) has the molecular formula C11H19NO4 and a molecular weight of 229.28 g/mol. Its IUPAC name is 2-(2-methoxybutanoylamino)ethyl 2-methylprop-2-enoate.

Molecular Properties

Compound Name2-(2-methoxybutanoylamino)ethyl 2-methylprop-2-enoate
PubChem CID166937691
Molecular FormulaC11H19NO4
Molecular Weight229.28 g/mol
Exact Mass229.13
IUPAC Name2-(2-methoxybutanoylamino)ethyl 2-methylprop-2-enoate
SMILESC=C(C)C(=O)OCCNC(=O)C(CC)OC
InChIInChI=1S/C11H19NO4/c1-5-9(15-4)10(13)12-6-7-16-11(14)8(2)3/h9H,2,5-7H2,1,3-4H3,(H,12,13)
InChIKeyQFDXROJIMPNTIU-UHFFFAOYSA-N
XLogP0.65
TPSA64.63 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500229.28
LogP ≤ 50.65
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

2-(2-methoxypropanoylamino)ethyl 2-methylprop-2-enoate
CID 89184726
2-(methoxycarbonylamino)ethyl 2-methylprop-2-enoate;methyl 2-methylprop-2-enoate
CID 158290359
2-(carbonochloridoylamino)ethyl 2-methylprop-2-enoate
CID 18000331
2-(2,2-dimethylpropanoylamino)ethyl 2-methylprop-2-enoate
CID 90228448
2-[(methoxycarbonylamino)carbamoylamino]ethyl 2-methylprop-2-enoate
CID 166799947
2-[2-(propanoylamino)ethoxycarbonylamino]ethyl 2-methylprop-2-enoate
CID 167060925
methyl 2-methylprop-2-enoate;2-(2-methylprop-2-enoyloxy)ethyl 2-methylprop-2-enoate
CID 3080735
methyl 2-(2-methylprop-2-enoyloxy)butanoate
CID 88580256
2-(propylamino)ethyl 2-methylprop-2-enoate
CID 18325626
2-[1-(methylamino)pentan-2-yloxycarbonylamino]ethyl 2-methylprop-2-enoate
CID 165000020
methyl hydrogen sulfate;2-(pentan-3-ylamino)ethyl 2-methylprop-2-enoate
CID 173435618
2-(iodoamino)ethyl 2-methylprop-2-enoate
CID 144974054

Frequently Asked Questions

What is the IUPAC name of 2-(2-methoxybutanoylamino)ethyl 2-methylprop-2-enoate?
The IUPAC name of 2-(2-methoxybutanoylamino)ethyl 2-methylprop-2-enoate (CID 166937691) is 2-(2-methoxybutanoylamino)ethyl 2-methylprop-2-enoate.
What is the SMILES notation for 2-(2-methoxybutanoylamino)ethyl 2-methylprop-2-enoate?
The canonical SMILES for 2-(2-methoxybutanoylamino)ethyl 2-methylprop-2-enoate is C=C(C)C(=O)OCCNC(=O)C(CC)OC.
What is the InChIKey of 2-(2-methoxybutanoylamino)ethyl 2-methylprop-2-enoate?
The InChIKey is QFDXROJIMPNTIU-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H19NO4/c1-5-9(15-4)10(13)12-6-7-16-11(14)8(2)3/h9H,2,5-7H2,1,3-4H3,(H,12,13).
What are the key properties of 2-(2-methoxybutanoylamino)ethyl 2-methylprop-2-enoate?
2-(2-methoxybutanoylamino)ethyl 2-methylprop-2-enoate has a molecular weight of 229.28 g/mol, XLogP of 0.65, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-methoxybutanoylamino)ethyl 2-methylprop-2-enoate is sourced from PubChem (CID 166937691), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).