ethyl 4-(7-amino-5,6,7,8-tetrahydronaphthalen-2-yl)butanoate

C16H23NO2 — CID 19386045

IUPACethyl 4-(7-amino-5,6,7,8-tetrahydronaphthalen-2-yl)butanoate
SMILESCCOC(=O)CCCc1ccc2c(c1)CC(N)CC2
InChIInChI=1S/C16H23NO2/c1-2-19-16(18)5-3-4-12-6-7-13-8-9-15(17)11-14(13)10-12/h6-7,10,15H,2-5,8-9,11,17H2,1H3
InChIKeyXCDWNCBOSZBXSR-UHFFFAOYSA-N
MW261.36 g/mol
LogP2.39
Rot. Bonds5

About ethyl 4-(7-amino-5,6,7,8-tetrahydronaphthalen-2-yl)butanoate

ethyl 4-(7-amino-5,6,7,8-tetrahydronaphthalen-2-yl)butanoate (PubChem CID 19386045) has the molecular formula C16H23NO2 and a molecular weight of 261.36 g/mol. Its IUPAC name is ethyl 4-(7-amino-5,6,7,8-tetrahydronaphthalen-2-yl)butanoate.

Molecular Properties

Compound Nameethyl 4-(7-amino-5,6,7,8-tetrahydronaphthalen-2-yl)butanoate
PubChem CID19386045
Molecular FormulaC16H23NO2
Molecular Weight261.36 g/mol
Exact Mass261.17
IUPAC Nameethyl 4-(7-amino-5,6,7,8-tetrahydronaphthalen-2-yl)butanoate
SMILESCCOC(=O)CCCc1ccc2c(c1)CC(N)CC2
InChIInChI=1S/C16H23NO2/c1-2-19-16(18)5-3-4-12-6-7-13-8-9-15(17)11-14(13)10-12/h6-7,10,15H,2-5,8-9,11,17H2,1H3
InChIKeyXCDWNCBOSZBXSR-UHFFFAOYSA-N
XLogP2.39
TPSA52.32 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500261.36
LogP ≤ 52.39
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of ethyl 4-(7-amino-5,6,7,8-tetrahydronaphthalen-2-yl)butanoate?
The IUPAC name of ethyl 4-(7-amino-5,6,7,8-tetrahydronaphthalen-2-yl)butanoate (CID 19386045) is ethyl 4-(7-amino-5,6,7,8-tetrahydronaphthalen-2-yl)butanoate.
What is the SMILES notation for ethyl 4-(7-amino-5,6,7,8-tetrahydronaphthalen-2-yl)butanoate?
The canonical SMILES for ethyl 4-(7-amino-5,6,7,8-tetrahydronaphthalen-2-yl)butanoate is CCOC(=O)CCCc1ccc2c(c1)CC(N)CC2.
What is the InChIKey of ethyl 4-(7-amino-5,6,7,8-tetrahydronaphthalen-2-yl)butanoate?
The InChIKey is XCDWNCBOSZBXSR-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H23NO2/c1-2-19-16(18)5-3-4-12-6-7-13-8-9-15(17)11-14(13)10-12/h6-7,10,15H,2-5,8-9,11,17H2,1H3.
What are the key properties of ethyl 4-(7-amino-5,6,7,8-tetrahydronaphthalen-2-yl)butanoate?
ethyl 4-(7-amino-5,6,7,8-tetrahydronaphthalen-2-yl)butanoate has a molecular weight of 261.36 g/mol, XLogP of 2.39, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 4-(7-amino-5,6,7,8-tetrahydronaphthalen-2-yl)butanoate is sourced from PubChem (CID 19386045), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).