2-aminoethyl 2-methylpent-2-enoate

C8H15NO2 — CID 91184807

IUPAC2-aminoethyl 2-methylpent-2-enoate
SMILESCCC=C(C)C(=O)OCCN
InChIInChI=1S/C8H15NO2/c1-3-4-7(2)8(10)11-6-5-9/h4H,3,5-6,9H2,1-2H3
InChIKeyXJPULGYHLYPICI-UHFFFAOYSA-N
MW157.21 g/mol
LogP0.84
Rot. Bonds4

About 2-aminoethyl 2-methylpent-2-enoate

2-aminoethyl 2-methylpent-2-enoate (PubChem CID 91184807) has the molecular formula C8H15NO2 and a molecular weight of 157.21 g/mol. Its IUPAC name is 2-aminoethyl 2-methylpent-2-enoate.

Molecular Properties

Compound Name2-aminoethyl 2-methylpent-2-enoate
PubChem CID91184807
Molecular FormulaC8H15NO2
Molecular Weight157.21 g/mol
Exact Mass157.11
IUPAC Name2-aminoethyl 2-methylpent-2-enoate
SMILESCCC=C(C)C(=O)OCCN
InChIInChI=1S/C8H15NO2/c1-3-4-7(2)8(10)11-6-5-9/h4H,3,5-6,9H2,1-2H3
InChIKeyXJPULGYHLYPICI-UHFFFAOYSA-N
XLogP0.84
TPSA52.32 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500157.21
LogP ≤ 50.84
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 2-aminoethyl 2-methylpent-2-enoate?
The IUPAC name of 2-aminoethyl 2-methylpent-2-enoate (CID 91184807) is 2-aminoethyl 2-methylpent-2-enoate.
What is the SMILES notation for 2-aminoethyl 2-methylpent-2-enoate?
The canonical SMILES for 2-aminoethyl 2-methylpent-2-enoate is CCC=C(C)C(=O)OCCN.
What is the InChIKey of 2-aminoethyl 2-methylpent-2-enoate?
The InChIKey is XJPULGYHLYPICI-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H15NO2/c1-3-4-7(2)8(10)11-6-5-9/h4H,3,5-6,9H2,1-2H3.
What are the key properties of 2-aminoethyl 2-methylpent-2-enoate?
2-aminoethyl 2-methylpent-2-enoate has a molecular weight of 157.21 g/mol, XLogP of 0.84, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-aminoethyl 2-methylpent-2-enoate is sourced from PubChem (CID 91184807), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).