2-(2-methylprop-2-enoyloxy)ethyl 4-aminobutanoate

C10H17NO4 — CID 135324596

IUPAC2-(2-methylprop-2-enoyloxy)ethyl 4-aminobutanoate
SMILESC=C(C)C(=O)OCCOC(=O)CCCN
InChIInChI=1S/C10H17NO4/c1-8(2)10(13)15-7-6-14-9(12)4-3-5-11/h1,3-7,11H2,2H3
InChIKeyKAJLAWXPFXNAMG-UHFFFAOYSA-N
MW215.25 g/mol
LogP0.39
Rot. Bonds7

About 2-(2-methylprop-2-enoyloxy)ethyl 4-aminobutanoate

2-(2-methylprop-2-enoyloxy)ethyl 4-aminobutanoate (PubChem CID 135324596) has the molecular formula C10H17NO4 and a molecular weight of 215.25 g/mol. Its IUPAC name is 2-(2-methylprop-2-enoyloxy)ethyl 4-aminobutanoate.

Molecular Properties

Compound Name2-(2-methylprop-2-enoyloxy)ethyl 4-aminobutanoate
PubChem CID135324596
Molecular FormulaC10H17NO4
Molecular Weight215.25 g/mol
Exact Mass215.12
IUPAC Name2-(2-methylprop-2-enoyloxy)ethyl 4-aminobutanoate
SMILESC=C(C)C(=O)OCCOC(=O)CCCN
InChIInChI=1S/C10H17NO4/c1-8(2)10(13)15-7-6-14-9(12)4-3-5-11/h1,3-7,11H2,2H3
InChIKeyKAJLAWXPFXNAMG-UHFFFAOYSA-N
XLogP0.39
TPSA78.62 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500215.25
LogP ≤ 50.39
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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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Frequently Asked Questions

What is the IUPAC name of 2-(2-methylprop-2-enoyloxy)ethyl 4-aminobutanoate?
The IUPAC name of 2-(2-methylprop-2-enoyloxy)ethyl 4-aminobutanoate (CID 135324596) is 2-(2-methylprop-2-enoyloxy)ethyl 4-aminobutanoate.
What is the SMILES notation for 2-(2-methylprop-2-enoyloxy)ethyl 4-aminobutanoate?
The canonical SMILES for 2-(2-methylprop-2-enoyloxy)ethyl 4-aminobutanoate is C=C(C)C(=O)OCCOC(=O)CCCN.
What is the InChIKey of 2-(2-methylprop-2-enoyloxy)ethyl 4-aminobutanoate?
The InChIKey is KAJLAWXPFXNAMG-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H17NO4/c1-8(2)10(13)15-7-6-14-9(12)4-3-5-11/h1,3-7,11H2,2H3.
What are the key properties of 2-(2-methylprop-2-enoyloxy)ethyl 4-aminobutanoate?
2-(2-methylprop-2-enoyloxy)ethyl 4-aminobutanoate has a molecular weight of 215.25 g/mol, XLogP of 0.39, 7 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-methylprop-2-enoyloxy)ethyl 4-aminobutanoate is sourced from PubChem (CID 135324596), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).