ethyl 2-(azocan-1-yl)acetate

C11H21NO2 — CID 25219274

IUPACethyl 2-(azocan-1-yl)acetate
SMILESCCOC(=O)CN1CCCCCCC1
InChIInChI=1S/C11H21NO2/c1-2-14-11(13)10-12-8-6-4-3-5-7-9-12/h2-10H2,1H3
InChIKeyVVTSPTLYTRBYBV-UHFFFAOYSA-N
MW199.29 g/mol
LogP1.82
Rot. Bonds3

About ethyl 2-(azocan-1-yl)acetate

ethyl 2-(azocan-1-yl)acetate (PubChem CID 25219274) has the molecular formula C11H21NO2 and a molecular weight of 199.29 g/mol. Its IUPAC name is ethyl 2-(azocan-1-yl)acetate.

Molecular Properties

Compound Nameethyl 2-(azocan-1-yl)acetate
PubChem CID25219274
Molecular FormulaC11H21NO2
Molecular Weight199.29 g/mol
Exact Mass199.16
IUPAC Nameethyl 2-(azocan-1-yl)acetate
SMILESCCOC(=O)CN1CCCCCCC1
InChIInChI=1S/C11H21NO2/c1-2-14-11(13)10-12-8-6-4-3-5-7-9-12/h2-10H2,1H3
InChIKeyVVTSPTLYTRBYBV-UHFFFAOYSA-N
XLogP1.82
TPSA29.54 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500199.29
LogP ≤ 51.82
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

sodium;ethyl 2-[4,7,10-tris(2-ethoxy-2-oxoethyl)-1,4,7,10-tetrazacyclododec-1-yl]acetate;iodide
CID 23722784
ethyl 2-(4-cyclohexylpiperidin-1-yl)acetate
CID 142887081
ethyl 2-(7-azaspiro[3.5]nonan-7-yl)acetate
CID 71244403
ethyl 2-[4,8-bis(2-ethoxy-2-oxoethyl)-1,4,8,11-tetrazacyclotetradec-1-yl]acetate
CID 59227643
1-(2-ethoxy-2-oxoethyl)piperidine-3-carboxylic acid
CID 170458411
ethyl 4-piperidin-1-ylbutanoate
CID 14044356
methyl 1-(2-ethoxy-2-oxoethyl)piperidine-3-carboxylate
CID 53421319
ethyl 2-[4-[2-(2-methylpiperidin-1-yl)-2-oxoethyl]piperazin-1-yl]acetate
CID 134055468
ethyl 2-[4-(2-cyclohexylacetyl)piperazin-1-yl]acetate
CID 134032765
ethyl 2-[8,11-bis(2-amino-2-oxoethyl)-4-(2-oxoethyl)-1,4,8,11-tetrazacyclotetradec-1-yl]acetate
CID 88955263
ethyl 2-[4-(2-ethoxy-2-oxoethyl)-8-ethyl-1,4,8,11-tetrazacyclotetradec-1-yl]acetate
CID 90455410
ethyl 4-(azocan-1-yl)-3-hydroxybutanoate
CID 82777815

Frequently Asked Questions

What is the IUPAC name of ethyl 2-(azocan-1-yl)acetate?
The IUPAC name of ethyl 2-(azocan-1-yl)acetate (CID 25219274) is ethyl 2-(azocan-1-yl)acetate.
What is the SMILES notation for ethyl 2-(azocan-1-yl)acetate?
The canonical SMILES for ethyl 2-(azocan-1-yl)acetate is CCOC(=O)CN1CCCCCCC1.
What is the InChIKey of ethyl 2-(azocan-1-yl)acetate?
The InChIKey is VVTSPTLYTRBYBV-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H21NO2/c1-2-14-11(13)10-12-8-6-4-3-5-7-9-12/h2-10H2,1H3.
What are the key properties of ethyl 2-(azocan-1-yl)acetate?
ethyl 2-(azocan-1-yl)acetate has a molecular weight of 199.29 g/mol, XLogP of 1.82, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 2-(azocan-1-yl)acetate is sourced from PubChem (CID 25219274), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).