ethyl 2-(hex-5-enylamino)acetate

C10H19NO2 — CID 10867857

IUPACethyl 2-(hex-5-enylamino)acetate
SMILESC=CCCCCNCC(=O)OCC
InChIInChI=1S/C10H19NO2/c1-3-5-6-7-8-11-9-10(12)13-4-2/h3,11H,1,4-9H2,2H3
InChIKeyRGPJQOXBGSTXPO-UHFFFAOYSA-N
MW185.27 g/mol
LogP1.50
Rot. Bonds8

About ethyl 2-(hex-5-enylamino)acetate

ethyl 2-(hex-5-enylamino)acetate (PubChem CID 10867857) has the molecular formula C10H19NO2 and a molecular weight of 185.27 g/mol. Its IUPAC name is ethyl 2-(hex-5-enylamino)acetate.

Molecular Properties

Compound Nameethyl 2-(hex-5-enylamino)acetate
PubChem CID10867857
Molecular FormulaC10H19NO2
Molecular Weight185.27 g/mol
Exact Mass185.14
IUPAC Nameethyl 2-(hex-5-enylamino)acetate
SMILESC=CCCCCNCC(=O)OCC
InChIInChI=1S/C10H19NO2/c1-3-5-6-7-8-11-9-10(12)13-4-2/h3,11H,1,4-9H2,2H3
InChIKeyRGPJQOXBGSTXPO-UHFFFAOYSA-N
XLogP1.50
TPSA38.33 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500185.27
LogP ≤ 51.50
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

ethyl hept-6-enoate
CID 560341
ethyl 2-(5-sulfanylpentylamino)acetate
CID 142399434
ethane;ethyl 2-(5-sulfanylpentylamino)acetate
CID 142399433
ethyl 2-(2-aminoethylamino)acetate;dihydrochloride
CID 74889816
ethyl 3-oxodec-9-enoate
CID 10036105
tert-butyl 2-(pent-4-enylamino)acetate
CID 86171439
ethyl 2-(4-propan-2-yloxybutylamino)acetate
CID 107095428
ethyl 6-(2-but-3-enoxyethylamino)hexanoate
CID 106401753
ethyl 2-(4,4,4-trifluorobutylamino)acetate
CID 115513560
ethyl 2-(2-chloroethylamino)acetate
CID 55302202
deca-1,9-diene;ethyl carbamate
CID 158614970
1-O-ethyl 5-O-pent-4-enyl pentanedioate
CID 91718034

Frequently Asked Questions

What is the IUPAC name of ethyl 2-(hex-5-enylamino)acetate?
The IUPAC name of ethyl 2-(hex-5-enylamino)acetate (CID 10867857) is ethyl 2-(hex-5-enylamino)acetate.
What is the SMILES notation for ethyl 2-(hex-5-enylamino)acetate?
The canonical SMILES for ethyl 2-(hex-5-enylamino)acetate is C=CCCCCNCC(=O)OCC.
What is the InChIKey of ethyl 2-(hex-5-enylamino)acetate?
The InChIKey is RGPJQOXBGSTXPO-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H19NO2/c1-3-5-6-7-8-11-9-10(12)13-4-2/h3,11H,1,4-9H2,2H3.
What are the key properties of ethyl 2-(hex-5-enylamino)acetate?
ethyl 2-(hex-5-enylamino)acetate has a molecular weight of 185.27 g/mol, XLogP of 1.50, 8 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 2-(hex-5-enylamino)acetate is sourced from PubChem (CID 10867857), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).