cycloheptyl 2-(2-aminoethoxy)acetate

C11H21NO3 — CID 79464005

IUPACcycloheptyl 2-(2-aminoethoxy)acetate
SMILESNCCOCC(=O)OC1CCCCCC1
InChIInChI=1S/C11H21NO3/c12-7-8-14-9-11(13)15-10-5-3-1-2-4-6-10/h10H,1-9,12H2
InChIKeyAOBJEQRSYMWADR-UHFFFAOYSA-N
MW215.29 g/mol
LogP1.23
Rot. Bonds5

About cycloheptyl 2-(2-aminoethoxy)acetate

cycloheptyl 2-(2-aminoethoxy)acetate (PubChem CID 79464005) has the molecular formula C11H21NO3 and a molecular weight of 215.29 g/mol. Its IUPAC name is cycloheptyl 2-(2-aminoethoxy)acetate.

Molecular Properties

Compound Namecycloheptyl 2-(2-aminoethoxy)acetate
PubChem CID79464005
Molecular FormulaC11H21NO3
Molecular Weight215.29 g/mol
Exact Mass215.15
IUPAC Namecycloheptyl 2-(2-aminoethoxy)acetate
SMILESNCCOCC(=O)OC1CCCCCC1
InChIInChI=1S/C11H21NO3/c12-7-8-14-9-11(13)15-10-5-3-1-2-4-6-10/h10H,1-9,12H2
InChIKeyAOBJEQRSYMWADR-UHFFFAOYSA-N
XLogP1.23
TPSA61.55 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500215.29
LogP ≤ 51.23
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

cyclohexyl 2-aminoacetate;hydrochloride
CID 14180607
cyclooctyl 7-aminoheptanoate
CID 21259475
cyclopentyl 2-cyclopentyloxyacetate
CID 118599673
cyclohexyl 2-[2-[bis[2-(2-cyclohexyloxy-2-oxoethoxy)ethyl]amino]ethoxy]acetate;methyl 3-[bis(3-methoxy-3-oxopropyl)amino]propanoate
CID 137477404
cycloheptyl (2S)-4-amino-2-hydroxybutanoate
CID 107837588
dicyclohexyl 2-aminobutanedioate chloride
CID 53312802
5-aminopentyl 2-cyclohexyloxyacetate
CID 158302508
dicyclohexyl pentanedioate
CID 15593941
2-(2-aminoethoxy)-N-cycloheptyl-N-methylacetamide
CID 79474162
cyclohexyl 5-amino-4-oxopentanoate;hydrochloride
CID 22253131
cyclohexyl (3S)-3,4-diamino-4-oxobutanoate
CID 101247028
cyclohexyl propanoate;dihydrochloride
CID 172803130

Frequently Asked Questions

What is the IUPAC name of cycloheptyl 2-(2-aminoethoxy)acetate?
The IUPAC name of cycloheptyl 2-(2-aminoethoxy)acetate (CID 79464005) is cycloheptyl 2-(2-aminoethoxy)acetate.
What is the SMILES notation for cycloheptyl 2-(2-aminoethoxy)acetate?
The canonical SMILES for cycloheptyl 2-(2-aminoethoxy)acetate is NCCOCC(=O)OC1CCCCCC1.
What is the InChIKey of cycloheptyl 2-(2-aminoethoxy)acetate?
The InChIKey is AOBJEQRSYMWADR-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H21NO3/c12-7-8-14-9-11(13)15-10-5-3-1-2-4-6-10/h10H,1-9,12H2.
What are the key properties of cycloheptyl 2-(2-aminoethoxy)acetate?
cycloheptyl 2-(2-aminoethoxy)acetate has a molecular weight of 215.29 g/mol, XLogP of 1.23, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for cycloheptyl 2-(2-aminoethoxy)acetate is sourced from PubChem (CID 79464005), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).