ethyl 2-(cycloheptylamino)acetate

C11H21NO2 — CID 13145542

IUPACethyl 2-(cycloheptylamino)acetate
SMILESCCOC(=O)CNC1CCCCCC1
InChIInChI=1S/C11H21NO2/c1-2-14-11(13)9-12-10-7-5-3-4-6-8-10/h10,12H,2-9H2,1H3
InChIKeySVVLSKMUWVMIJF-UHFFFAOYSA-N
MW199.29 g/mol
LogP1.86
Rot. Bonds4

About ethyl 2-(cycloheptylamino)acetate

ethyl 2-(cycloheptylamino)acetate (PubChem CID 13145542) has the molecular formula C11H21NO2 and a molecular weight of 199.29 g/mol. Its IUPAC name is ethyl 2-(cycloheptylamino)acetate.

Molecular Properties

Compound Nameethyl 2-(cycloheptylamino)acetate
PubChem CID13145542
Molecular FormulaC11H21NO2
Molecular Weight199.29 g/mol
Exact Mass199.16
IUPAC Nameethyl 2-(cycloheptylamino)acetate
SMILESCCOC(=O)CNC1CCCCCC1
InChIInChI=1S/C11H21NO2/c1-2-14-11(13)9-12-10-7-5-3-4-6-8-10/h10,12H,2-9H2,1H3
InChIKeySVVLSKMUWVMIJF-UHFFFAOYSA-N
XLogP1.86
TPSA38.33 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500199.29
LogP ≤ 51.86
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of ethyl 2-(cycloheptylamino)acetate?
The IUPAC name of ethyl 2-(cycloheptylamino)acetate (CID 13145542) is ethyl 2-(cycloheptylamino)acetate.
What is the SMILES notation for ethyl 2-(cycloheptylamino)acetate?
The canonical SMILES for ethyl 2-(cycloheptylamino)acetate is CCOC(=O)CNC1CCCCCC1.
What is the InChIKey of ethyl 2-(cycloheptylamino)acetate?
The InChIKey is SVVLSKMUWVMIJF-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H21NO2/c1-2-14-11(13)9-12-10-7-5-3-4-6-8-10/h10,12H,2-9H2,1H3.
What are the key properties of ethyl 2-(cycloheptylamino)acetate?
ethyl 2-(cycloheptylamino)acetate has a molecular weight of 199.29 g/mol, XLogP of 1.86, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 2-(cycloheptylamino)acetate is sourced from PubChem (CID 13145542), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).