methyl 2-(azocan-2-yl)acetate

C10H19NO2 — CID 86040521

IUPACmethyl 2-(azocan-2-yl)acetate
SMILESCOC(=O)CC1CCCCCCN1
InChIInChI=1S/C10H19NO2/c1-13-10(12)8-9-6-4-2-3-5-7-11-9/h9,11H,2-8H2,1H3
InChIKeyOEQXUPNCRTYZBH-UHFFFAOYSA-N
MW185.27 g/mol
LogP1.47
Rot. Bonds2

About methyl 2-(azocan-2-yl)acetate

methyl 2-(azocan-2-yl)acetate (PubChem CID 86040521) has the molecular formula C10H19NO2 and a molecular weight of 185.27 g/mol. Its IUPAC name is methyl 2-(azocan-2-yl)acetate.

Molecular Properties

Compound Namemethyl 2-(azocan-2-yl)acetate
PubChem CID86040521
Molecular FormulaC10H19NO2
Molecular Weight185.27 g/mol
Exact Mass185.14
IUPAC Namemethyl 2-(azocan-2-yl)acetate
SMILESCOC(=O)CC1CCCCCCN1
InChIInChI=1S/C10H19NO2/c1-13-10(12)8-9-6-4-2-3-5-7-11-9/h9,11H,2-8H2,1H3
InChIKeyOEQXUPNCRTYZBH-UHFFFAOYSA-N
XLogP1.47
TPSA38.33 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500185.27
LogP ≤ 51.47
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

ethane;methyl 2-piperidin-2-ylacetate
CID 168986004
1-[(2R)-azepan-2-yl]propan-2-one
CID 97048950
methyl 2-(1,4-diazepan-5-yl)acetate
CID 23090340
cyclohexyl 2-pyrrolidin-2-ylacetate
CID 61372710
2-[(2R)-azepan-2-yl]acetic acid
CID 96634576
methyl 4-piperidin-2-ylbutanoate;hydrochloride
CID 66772062
1-(azocan-2-yl)-3-methylbutan-2-one
CID 130491231
methyl 2-(diazinan-3-yl)acetate
CID 91286316
methyl 3-[1-(azepan-2-yl)propan-2-ylamino]propanoate
CID 79560294
methyl 2-(piperidin-2-ylmethylsulfonyl)acetate;hydrochloride
CID 72716377
N-cycloheptyl-2-piperidin-2-ylacetamide
CID 43346201
methyl 3-(2-piperidin-2-ylethoxy)propanoate;hydrochloride
CID 56830628

Frequently Asked Questions

What is the IUPAC name of methyl 2-(azocan-2-yl)acetate?
The IUPAC name of methyl 2-(azocan-2-yl)acetate (CID 86040521) is methyl 2-(azocan-2-yl)acetate.
What is the SMILES notation for methyl 2-(azocan-2-yl)acetate?
The canonical SMILES for methyl 2-(azocan-2-yl)acetate is COC(=O)CC1CCCCCCN1.
What is the InChIKey of methyl 2-(azocan-2-yl)acetate?
The InChIKey is OEQXUPNCRTYZBH-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H19NO2/c1-13-10(12)8-9-6-4-2-3-5-7-11-9/h9,11H,2-8H2,1H3.
What are the key properties of methyl 2-(azocan-2-yl)acetate?
methyl 2-(azocan-2-yl)acetate has a molecular weight of 185.27 g/mol, XLogP of 1.47, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 2-(azocan-2-yl)acetate is sourced from PubChem (CID 86040521), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).