ethyl 2-amino-3-cyclohex-2-en-1-ylpropanoate

C11H19NO2 — CID 167715364

IUPACethyl 2-amino-3-cyclohex-2-en-1-ylpropanoate
SMILESCCOC(=O)C(N)CC1C=CCCC1
InChIInChI=1S/C11H19NO2/c1-2-14-11(13)10(12)8-9-6-4-3-5-7-9/h4,6,9-10H,2-3,5,7-8,12H2,1H3
InChIKeyKDJOXNOOAWYWNI-UHFFFAOYSA-N
MW197.28 g/mol
LogP1.62
Rot. Bonds4

About ethyl 2-amino-3-cyclohex-2-en-1-ylpropanoate

ethyl 2-amino-3-cyclohex-2-en-1-ylpropanoate (PubChem CID 167715364) has the molecular formula C11H19NO2 and a molecular weight of 197.28 g/mol. Its IUPAC name is ethyl 2-amino-3-cyclohex-2-en-1-ylpropanoate.

Molecular Properties

Compound Nameethyl 2-amino-3-cyclohex-2-en-1-ylpropanoate
PubChem CID167715364
Molecular FormulaC11H19NO2
Molecular Weight197.28 g/mol
Exact Mass197.14
IUPAC Nameethyl 2-amino-3-cyclohex-2-en-1-ylpropanoate
SMILESCCOC(=O)C(N)CC1C=CCCC1
InChIInChI=1S/C11H19NO2/c1-2-14-11(13)10(12)8-9-6-4-3-5-7-9/h4,6,9-10H,2-3,5,7-8,12H2,1H3
InChIKeyKDJOXNOOAWYWNI-UHFFFAOYSA-N
XLogP1.62
TPSA52.32 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500197.28
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-3-cyclohex-2-en-1-ylpropanoate?
The IUPAC name of ethyl 2-amino-3-cyclohex-2-en-1-ylpropanoate (CID 167715364) is ethyl 2-amino-3-cyclohex-2-en-1-ylpropanoate.
What is the SMILES notation for ethyl 2-amino-3-cyclohex-2-en-1-ylpropanoate?
The canonical SMILES for ethyl 2-amino-3-cyclohex-2-en-1-ylpropanoate is CCOC(=O)C(N)CC1C=CCCC1.
What is the InChIKey of ethyl 2-amino-3-cyclohex-2-en-1-ylpropanoate?
The InChIKey is KDJOXNOOAWYWNI-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H19NO2/c1-2-14-11(13)10(12)8-9-6-4-3-5-7-9/h4,6,9-10H,2-3,5,7-8,12H2,1H3.
What are the key properties of ethyl 2-amino-3-cyclohex-2-en-1-ylpropanoate?
ethyl 2-amino-3-cyclohex-2-en-1-ylpropanoate has a molecular weight of 197.28 g/mol, XLogP of 1.62, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 2-amino-3-cyclohex-2-en-1-ylpropanoate is sourced from PubChem (CID 167715364), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).