ethyl 5-amino-2-methyl-2-naphthalen-2-ylpentanoate

C18H23NO2 — CID 117049792

IUPACethyl 5-amino-2-methyl-2-naphthalen-2-ylpentanoate
SMILESCCOC(=O)C(C)(CCCN)c1ccc2ccccc2c1
InChIInChI=1S/C18H23NO2/c1-3-21-17(20)18(2,11-6-12-19)16-10-9-14-7-4-5-8-15(14)13-16/h4-5,7-10,13H,3,6,11-12,19H2,1-2H3
InChIKeyMVEJYOMCPSAUBQ-UHFFFAOYSA-N
MW285.39 g/mol
LogP3.40
Rot. Bonds6

About ethyl 5-amino-2-methyl-2-naphthalen-2-ylpentanoate

ethyl 5-amino-2-methyl-2-naphthalen-2-ylpentanoate (PubChem CID 117049792) has the molecular formula C18H23NO2 and a molecular weight of 285.39 g/mol. Its IUPAC name is ethyl 5-amino-2-methyl-2-naphthalen-2-ylpentanoate.

Molecular Properties

Compound Nameethyl 5-amino-2-methyl-2-naphthalen-2-ylpentanoate
PubChem CID117049792
Molecular FormulaC18H23NO2
Molecular Weight285.39 g/mol
Exact Mass285.17
IUPAC Nameethyl 5-amino-2-methyl-2-naphthalen-2-ylpentanoate
SMILESCCOC(=O)C(C)(CCCN)c1ccc2ccccc2c1
InChIInChI=1S/C18H23NO2/c1-3-21-17(20)18(2,11-6-12-19)16-10-9-14-7-4-5-8-15(14)13-16/h4-5,7-10,13H,3,6,11-12,19H2,1-2H3
InChIKeyMVEJYOMCPSAUBQ-UHFFFAOYSA-N
XLogP3.40
TPSA52.32 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500285.39
LogP ≤ 53.40
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

ethyl (2R)-3-fluoro-2-methyl-2-naphthalen-2-ylpropanoate
CID 155818749
ethyl 5-amino-2-methyl-2-(3-methylphenyl)pentanoate
CID 117049798
ethyl 5-amino-2-(3-chlorophenyl)-2-methylpentanoate
CID 117049814
ethyl 2-(1-ethoxy-2-naphthalen-2-yl-1-oxopropan-2-yl)sulfanyl-2-naphthalen-2-ylpropanoate
CID 70225025
ethyl 2-methyl-2-naphthalen-2-yl-3-thiophen-2-ylpropanoate
CID 117048785
ethyl 2,2-difluoro-2-naphthalen-2-ylacetate
CID 12585543
ethyl 5-amino-2-[1-(3,5-dimethylphenyl)indol-5-yl]-2-methylpentanoate
CID 67662616
ethyl 2-(1-ethoxy-2-naphthalen-2-yl-1-oxobutan-2-yl)sulfanyl-2-naphthalen-2-ylbutanoate
CID 70222692
ethyl (2R)-2-(furan-2-carbonylamino)-2-naphthalen-2-ylpropanoate
CID 66813687
ethyl 6-iodo-2-methyl-2-phenylhexanoate
CID 142212090
ethyl 4-amino-2-methyl-2-naphthalen-1-ylbutanoate
CID 117049874
ethyl (2R)-2-cyano-2-naphthalen-2-yl-2-phenylacetate
CID 101110607

Frequently Asked Questions

What is the IUPAC name of ethyl 5-amino-2-methyl-2-naphthalen-2-ylpentanoate?
The IUPAC name of ethyl 5-amino-2-methyl-2-naphthalen-2-ylpentanoate (CID 117049792) is ethyl 5-amino-2-methyl-2-naphthalen-2-ylpentanoate.
What is the SMILES notation for ethyl 5-amino-2-methyl-2-naphthalen-2-ylpentanoate?
The canonical SMILES for ethyl 5-amino-2-methyl-2-naphthalen-2-ylpentanoate is CCOC(=O)C(C)(CCCN)c1ccc2ccccc2c1.
What is the InChIKey of ethyl 5-amino-2-methyl-2-naphthalen-2-ylpentanoate?
The InChIKey is MVEJYOMCPSAUBQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H23NO2/c1-3-21-17(20)18(2,11-6-12-19)16-10-9-14-7-4-5-8-15(14)13-16/h4-5,7-10,13H,3,6,11-12,19H2,1-2H3.
What are the key properties of ethyl 5-amino-2-methyl-2-naphthalen-2-ylpentanoate?
ethyl 5-amino-2-methyl-2-naphthalen-2-ylpentanoate has a molecular weight of 285.39 g/mol, XLogP of 3.40, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 5-amino-2-methyl-2-naphthalen-2-ylpentanoate is sourced from PubChem (CID 117049792), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).