ethyl 2-amino-2-ethylhex-4-enoate

C10H19NO2 — CID 54508860

IUPACethyl 2-amino-2-ethylhex-4-enoate
SMILESCC=CCC(N)(CC)C(=O)OCC
InChIInChI=1S/C10H19NO2/c1-4-7-8-10(11,5-2)9(12)13-6-3/h4,7H,5-6,8,11H2,1-3H3
InChIKeyYHRBCXCBOIIMFI-UHFFFAOYSA-N
MW185.27 g/mol
LogP1.62
Rot. Bonds5

About ethyl 2-amino-2-ethylhex-4-enoate

ethyl 2-amino-2-ethylhex-4-enoate (PubChem CID 54508860) has the molecular formula C10H19NO2 and a molecular weight of 185.27 g/mol. Its IUPAC name is ethyl 2-amino-2-ethylhex-4-enoate.

Molecular Properties

Compound Nameethyl 2-amino-2-ethylhex-4-enoate
PubChem CID54508860
Molecular FormulaC10H19NO2
Molecular Weight185.27 g/mol
Exact Mass185.14
IUPAC Nameethyl 2-amino-2-ethylhex-4-enoate
SMILESCC=CCC(N)(CC)C(=O)OCC
InChIInChI=1S/C10H19NO2/c1-4-7-8-10(11,5-2)9(12)13-6-3/h4,7H,5-6,8,11H2,1-3H3
InChIKeyYHRBCXCBOIIMFI-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': 'isolated_alkene', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of ethyl 2-amino-2-ethylhex-4-enoate?
The IUPAC name of ethyl 2-amino-2-ethylhex-4-enoate (CID 54508860) is ethyl 2-amino-2-ethylhex-4-enoate.
What is the SMILES notation for ethyl 2-amino-2-ethylhex-4-enoate?
The canonical SMILES for ethyl 2-amino-2-ethylhex-4-enoate is CC=CCC(N)(CC)C(=O)OCC.
What is the InChIKey of ethyl 2-amino-2-ethylhex-4-enoate?
The InChIKey is YHRBCXCBOIIMFI-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H19NO2/c1-4-7-8-10(11,5-2)9(12)13-6-3/h4,7H,5-6,8,11H2,1-3H3.
What are the key properties of ethyl 2-amino-2-ethylhex-4-enoate?
ethyl 2-amino-2-ethylhex-4-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 ethyl 2-amino-2-ethylhex-4-enoate is sourced from PubChem (CID 54508860), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).