ethyl 6-amino-5-phenylhexanoate

C14H21NO2 — CID 14003418

IUPACethyl 6-amino-5-phenylhexanoate
SMILESCCOC(=O)CCCC(CN)c1ccccc1
InChIInChI=1S/C14H21NO2/c1-2-17-14(16)10-6-9-13(11-15)12-7-4-3-5-8-12/h3-5,7-8,13H,2,6,9-11,15H2,1H3
InChIKeyMBJBYTLUGVLQFD-UHFFFAOYSA-N
MW235.33 g/mol
LogP2.46
Rot. Bonds7

About ethyl 6-amino-5-phenylhexanoate

ethyl 6-amino-5-phenylhexanoate (PubChem CID 14003418) has the molecular formula C14H21NO2 and a molecular weight of 235.33 g/mol. Its IUPAC name is ethyl 6-amino-5-phenylhexanoate.

Molecular Properties

Compound Nameethyl 6-amino-5-phenylhexanoate
PubChem CID14003418
Molecular FormulaC14H21NO2
Molecular Weight235.33 g/mol
Exact Mass235.16
IUPAC Nameethyl 6-amino-5-phenylhexanoate
SMILESCCOC(=O)CCCC(CN)c1ccccc1
InChIInChI=1S/C14H21NO2/c1-2-17-14(16)10-6-9-13(11-15)12-7-4-3-5-8-12/h3-5,7-8,13H,2,6,9-11,15H2,1H3
InChIKeyMBJBYTLUGVLQFD-UHFFFAOYSA-N
XLogP2.46
TPSA52.32 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500235.33
LogP ≤ 52.46
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of ethyl 6-amino-5-phenylhexanoate?
The IUPAC name of ethyl 6-amino-5-phenylhexanoate (CID 14003418) is ethyl 6-amino-5-phenylhexanoate.
What is the SMILES notation for ethyl 6-amino-5-phenylhexanoate?
The canonical SMILES for ethyl 6-amino-5-phenylhexanoate is CCOC(=O)CCCC(CN)c1ccccc1.
What is the InChIKey of ethyl 6-amino-5-phenylhexanoate?
The InChIKey is MBJBYTLUGVLQFD-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H21NO2/c1-2-17-14(16)10-6-9-13(11-15)12-7-4-3-5-8-12/h3-5,7-8,13H,2,6,9-11,15H2,1H3.
What are the key properties of ethyl 6-amino-5-phenylhexanoate?
ethyl 6-amino-5-phenylhexanoate has a molecular weight of 235.33 g/mol, XLogP of 2.46, 7 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 6-amino-5-phenylhexanoate is sourced from PubChem (CID 14003418), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).