2-aminoethyl 3-ethyl-2-methylpent-2-enoate

C10H19NO2 — CID 54199301

IUPAC2-aminoethyl 3-ethyl-2-methylpent-2-enoate
SMILESCCC(CC)=C(C)C(=O)OCCN
InChIInChI=1S/C10H19NO2/c1-4-9(5-2)8(3)10(12)13-7-6-11/h4-7,11H2,1-3H3
InChIKeyPOBPOAILCDXGOC-UHFFFAOYSA-N
MW185.27 g/mol
LogP1.62
Rot. Bonds5

About 2-aminoethyl 3-ethyl-2-methylpent-2-enoate

2-aminoethyl 3-ethyl-2-methylpent-2-enoate (PubChem CID 54199301) has the molecular formula C10H19NO2 and a molecular weight of 185.27 g/mol. Its IUPAC name is 2-aminoethyl 3-ethyl-2-methylpent-2-enoate.

Molecular Properties

Compound Name2-aminoethyl 3-ethyl-2-methylpent-2-enoate
PubChem CID54199301
Molecular FormulaC10H19NO2
Molecular Weight185.27 g/mol
Exact Mass185.14
IUPAC Name2-aminoethyl 3-ethyl-2-methylpent-2-enoate
SMILESCCC(CC)=C(C)C(=O)OCCN
InChIInChI=1S/C10H19NO2/c1-4-9(5-2)8(3)10(12)13-7-6-11/h4-7,11H2,1-3H3
InChIKeyPOBPOAILCDXGOC-UHFFFAOYSA-N
XLogP1.62
TPSA52.32 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500185.27
LogP ≤ 51.62
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 3-ethyl-2-methylpent-2-enoate?
The IUPAC name of 2-aminoethyl 3-ethyl-2-methylpent-2-enoate (CID 54199301) is 2-aminoethyl 3-ethyl-2-methylpent-2-enoate.
What is the SMILES notation for 2-aminoethyl 3-ethyl-2-methylpent-2-enoate?
The canonical SMILES for 2-aminoethyl 3-ethyl-2-methylpent-2-enoate is CCC(CC)=C(C)C(=O)OCCN.
What is the InChIKey of 2-aminoethyl 3-ethyl-2-methylpent-2-enoate?
The InChIKey is POBPOAILCDXGOC-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H19NO2/c1-4-9(5-2)8(3)10(12)13-7-6-11/h4-7,11H2,1-3H3.
What are the key properties of 2-aminoethyl 3-ethyl-2-methylpent-2-enoate?
2-aminoethyl 3-ethyl-2-methylpent-2-enoate has a molecular weight of 185.27 g/mol, XLogP of 1.62, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-aminoethyl 3-ethyl-2-methylpent-2-enoate is sourced from PubChem (CID 54199301), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).