ethyl 3-amino-3-naphthalen-1-ylbutanoate

C16H19NO2 — CID 79849159

IUPACethyl 3-amino-3-naphthalen-1-ylbutanoate
SMILESCCOC(=O)CC(C)(N)c1cccc2ccccc12
InChIInChI=1S/C16H19NO2/c1-3-19-15(18)11-16(2,17)14-10-6-8-12-7-4-5-9-13(12)14/h4-10H,3,11,17H2,1-2H3
InChIKeyLEOSDKCWDMYWSK-UHFFFAOYSA-N
MW257.33 g/mol
LogP2.97
Rot. Bonds4

About ethyl 3-amino-3-naphthalen-1-ylbutanoate

ethyl 3-amino-3-naphthalen-1-ylbutanoate (PubChem CID 79849159) has the molecular formula C16H19NO2 and a molecular weight of 257.33 g/mol. Its IUPAC name is ethyl 3-amino-3-naphthalen-1-ylbutanoate.

Molecular Properties

Compound Nameethyl 3-amino-3-naphthalen-1-ylbutanoate
PubChem CID79849159
Molecular FormulaC16H19NO2
Molecular Weight257.33 g/mol
Exact Mass257.14
IUPAC Nameethyl 3-amino-3-naphthalen-1-ylbutanoate
SMILESCCOC(=O)CC(C)(N)c1cccc2ccccc12
InChIInChI=1S/C16H19NO2/c1-3-19-15(18)11-16(2,17)14-10-6-8-12-7-4-5-9-13(12)14/h4-10H,3,11,17H2,1-2H3
InChIKeyLEOSDKCWDMYWSK-UHFFFAOYSA-N
XLogP2.97
TPSA52.32 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500257.33
LogP ≤ 52.97
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

methyl 3-amino-3-naphthalen-1-ylbutanoate
CID 79849227
ethyl 3-amino-3-(2-methylphenyl)butanoate
CID 79849157
ethyl 2-amino-2-naphthalen-1-ylpropanoate
CID 60796061
ethyl 4-amino-2-methyl-2-naphthalen-1-ylbutanoate
CID 117049874
ethyl 3,3,3-trifluoro-2-hydroxy-2-naphthalen-1-ylpropanoate
CID 12060174
ethyl 3-amino-3-(2,4-dimethylphenyl)butanoate
CID 79848686
ethyl (2S)-2-amino-2-methyl-3-naphthalen-1-ylpropanoate
CID 11173902
ethyl (3S)-3-amino-3-(2,4-difluorophenyl)butanoate
CID 67025344
3-methyl-3-naphthalen-1-ylbutanoic acid
CID 79020311
3-hydroxy-3-naphthalen-1-ylbutanoic acid
CID 598604
ethyl 3-amino-3-(2-chloro-4-fluorophenyl)butanoate
CID 79849164
2-methyl-2-naphthalen-1-ylbutanoyl chloride
CID 117047849

Frequently Asked Questions

What is the IUPAC name of ethyl 3-amino-3-naphthalen-1-ylbutanoate?
The IUPAC name of ethyl 3-amino-3-naphthalen-1-ylbutanoate (CID 79849159) is ethyl 3-amino-3-naphthalen-1-ylbutanoate.
What is the SMILES notation for ethyl 3-amino-3-naphthalen-1-ylbutanoate?
The canonical SMILES for ethyl 3-amino-3-naphthalen-1-ylbutanoate is CCOC(=O)CC(C)(N)c1cccc2ccccc12.
What is the InChIKey of ethyl 3-amino-3-naphthalen-1-ylbutanoate?
The InChIKey is LEOSDKCWDMYWSK-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H19NO2/c1-3-19-15(18)11-16(2,17)14-10-6-8-12-7-4-5-9-13(12)14/h4-10H,3,11,17H2,1-2H3.
What are the key properties of ethyl 3-amino-3-naphthalen-1-ylbutanoate?
ethyl 3-amino-3-naphthalen-1-ylbutanoate has a molecular weight of 257.33 g/mol, XLogP of 2.97, 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-ylbutanoate is sourced from PubChem (CID 79849159), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).