ethyl 3-amino-3-naphthalen-1-ylpropanoate

C15H17NO2 — CID 593623

IUPACethyl 3-amino-3-naphthalen-1-ylpropanoate
SMILESCCOC(=O)CC(N)c1cccc2ccccc12
InChIInChI=1S/C15H17NO2/c1-2-18-15(17)10-14(16)13-9-5-7-11-6-3-4-8-12(11)13/h3-9,14H,2,10,16H2,1H3
InChIKeyYOQPDEDCVQCATH-UHFFFAOYSA-N
MW243.31 g/mol
LogP2.79
Rot. Bonds4

About ethyl 3-amino-3-naphthalen-1-ylpropanoate

ethyl 3-amino-3-naphthalen-1-ylpropanoate (PubChem CID 593623) has the molecular formula C15H17NO2 and a molecular weight of 243.31 g/mol. Its IUPAC name is ethyl 3-amino-3-naphthalen-1-ylpropanoate.

Molecular Properties

Compound Nameethyl 3-amino-3-naphthalen-1-ylpropanoate
PubChem CID593623
Molecular FormulaC15H17NO2
Molecular Weight243.31 g/mol
Exact Mass243.13
IUPAC Nameethyl 3-amino-3-naphthalen-1-ylpropanoate
SMILESCCOC(=O)CC(N)c1cccc2ccccc12
InChIInChI=1S/C15H17NO2/c1-2-18-15(17)10-14(16)13-9-5-7-11-6-3-4-8-12(11)13/h3-9,14H,2,10,16H2,1H3
InChIKeyYOQPDEDCVQCATH-UHFFFAOYSA-N
XLogP2.79
TPSA52.32 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500243.31
LogP ≤ 52.79
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of ethyl 3-amino-3-naphthalen-1-ylpropanoate?
The IUPAC name of ethyl 3-amino-3-naphthalen-1-ylpropanoate (CID 593623) is ethyl 3-amino-3-naphthalen-1-ylpropanoate.
What is the SMILES notation for ethyl 3-amino-3-naphthalen-1-ylpropanoate?
The canonical SMILES for ethyl 3-amino-3-naphthalen-1-ylpropanoate is CCOC(=O)CC(N)c1cccc2ccccc12.
What is the InChIKey of ethyl 3-amino-3-naphthalen-1-ylpropanoate?
The InChIKey is YOQPDEDCVQCATH-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H17NO2/c1-2-18-15(17)10-14(16)13-9-5-7-11-6-3-4-8-12(11)13/h3-9,14H,2,10,16H2,1H3.
What are the key properties of ethyl 3-amino-3-naphthalen-1-ylpropanoate?
ethyl 3-amino-3-naphthalen-1-ylpropanoate has a molecular weight of 243.31 g/mol, XLogP of 2.79, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 3-amino-3-naphthalen-1-ylpropanoate is sourced from PubChem (CID 593623), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).