ethyl 2-(cycloheptylamino)-2-(oxolan-3-yl)acetate

C15H27NO3 — CID 54892887

IUPACethyl 2-(cycloheptylamino)-2-(oxolan-3-yl)acetate
SMILESCCOC(=O)C(NC1CCCCCC1)C1CCOC1
InChIInChI=1S/C15H27NO3/c1-2-19-15(17)14(12-9-10-18-11-12)16-13-7-5-3-4-6-8-13/h12-14,16H,2-11H2,1H3
InChIKeyCVMWCAGJQBWCHP-UHFFFAOYSA-N
MW269.38 g/mol
LogP2.27
Rot. Bonds5

About ethyl 2-(cycloheptylamino)-2-(oxolan-3-yl)acetate

ethyl 2-(cycloheptylamino)-2-(oxolan-3-yl)acetate (PubChem CID 54892887) has the molecular formula C15H27NO3 and a molecular weight of 269.38 g/mol. Its IUPAC name is ethyl 2-(cycloheptylamino)-2-(oxolan-3-yl)acetate.

Molecular Properties

Compound Nameethyl 2-(cycloheptylamino)-2-(oxolan-3-yl)acetate
PubChem CID54892887
Molecular FormulaC15H27NO3
Molecular Weight269.38 g/mol
Exact Mass269.20
IUPAC Nameethyl 2-(cycloheptylamino)-2-(oxolan-3-yl)acetate
SMILESCCOC(=O)C(NC1CCCCCC1)C1CCOC1
InChIInChI=1S/C15H27NO3/c1-2-19-15(17)14(12-9-10-18-11-12)16-13-7-5-3-4-6-8-13/h12-14,16H,2-11H2,1H3
InChIKeyCVMWCAGJQBWCHP-UHFFFAOYSA-N
XLogP2.27
TPSA47.56 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500269.38
LogP ≤ 52.27
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of ethyl 2-(cycloheptylamino)-2-(oxolan-3-yl)acetate?
The IUPAC name of ethyl 2-(cycloheptylamino)-2-(oxolan-3-yl)acetate (CID 54892887) is ethyl 2-(cycloheptylamino)-2-(oxolan-3-yl)acetate.
What is the SMILES notation for ethyl 2-(cycloheptylamino)-2-(oxolan-3-yl)acetate?
The canonical SMILES for ethyl 2-(cycloheptylamino)-2-(oxolan-3-yl)acetate is CCOC(=O)C(NC1CCCCCC1)C1CCOC1.
What is the InChIKey of ethyl 2-(cycloheptylamino)-2-(oxolan-3-yl)acetate?
The InChIKey is CVMWCAGJQBWCHP-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H27NO3/c1-2-19-15(17)14(12-9-10-18-11-12)16-13-7-5-3-4-6-8-13/h12-14,16H,2-11H2,1H3.
What are the key properties of ethyl 2-(cycloheptylamino)-2-(oxolan-3-yl)acetate?
ethyl 2-(cycloheptylamino)-2-(oxolan-3-yl)acetate has a molecular weight of 269.38 g/mol, XLogP of 2.27, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 2-(cycloheptylamino)-2-(oxolan-3-yl)acetate is sourced from PubChem (CID 54892887), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).