ethyl 4-(cycloheptylamino)oxane-4-carboxylate

C15H27NO3 — CID 54892935

IUPACethyl 4-(cycloheptylamino)oxane-4-carboxylate
SMILESCCOC(=O)C1(NC2CCCCCC2)CCOCC1
InChIInChI=1S/C15H27NO3/c1-2-19-14(17)15(9-11-18-12-10-15)16-13-7-5-3-4-6-8-13/h13,16H,2-12H2,1H3
InChIKeyDWNTVFVCPFZQGW-UHFFFAOYSA-N
MW269.38 g/mol
LogP2.41
Rot. Bonds4

About ethyl 4-(cycloheptylamino)oxane-4-carboxylate

ethyl 4-(cycloheptylamino)oxane-4-carboxylate (PubChem CID 54892935) has the molecular formula C15H27NO3 and a molecular weight of 269.38 g/mol. Its IUPAC name is ethyl 4-(cycloheptylamino)oxane-4-carboxylate.

Molecular Properties

Compound Nameethyl 4-(cycloheptylamino)oxane-4-carboxylate
PubChem CID54892935
Molecular FormulaC15H27NO3
Molecular Weight269.38 g/mol
Exact Mass269.20
IUPAC Nameethyl 4-(cycloheptylamino)oxane-4-carboxylate
SMILESCCOC(=O)C1(NC2CCCCCC2)CCOCC1
InChIInChI=1S/C15H27NO3/c1-2-19-14(17)15(9-11-18-12-10-15)16-13-7-5-3-4-6-8-13/h13,16H,2-12H2,1H3
InChIKeyDWNTVFVCPFZQGW-UHFFFAOYSA-N
XLogP2.41
TPSA47.56 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500269.38
LogP ≤ 52.41
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of ethyl 4-(cycloheptylamino)oxane-4-carboxylate?
The IUPAC name of ethyl 4-(cycloheptylamino)oxane-4-carboxylate (CID 54892935) is ethyl 4-(cycloheptylamino)oxane-4-carboxylate.
What is the SMILES notation for ethyl 4-(cycloheptylamino)oxane-4-carboxylate?
The canonical SMILES for ethyl 4-(cycloheptylamino)oxane-4-carboxylate is CCOC(=O)C1(NC2CCCCCC2)CCOCC1.
What is the InChIKey of ethyl 4-(cycloheptylamino)oxane-4-carboxylate?
The InChIKey is DWNTVFVCPFZQGW-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H27NO3/c1-2-19-14(17)15(9-11-18-12-10-15)16-13-7-5-3-4-6-8-13/h13,16H,2-12H2,1H3.
What are the key properties of ethyl 4-(cycloheptylamino)oxane-4-carboxylate?
ethyl 4-(cycloheptylamino)oxane-4-carboxylate has a molecular weight of 269.38 g/mol, XLogP of 2.41, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 4-(cycloheptylamino)oxane-4-carboxylate is sourced from PubChem (CID 54892935), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).