methyl 4-(methylamino)-5-oxo-5-(5,6,7,8-tetrahydronaphthalen-2-yl)pentanoate

C17H23NO3 — CID 82347867

IUPACmethyl 4-(methylamino)-5-oxo-5-(5,6,7,8-tetrahydronaphthalen-2-yl)pentanoate
SMILESCNC(CCC(=O)OC)C(=O)c1ccc2c(c1)CCCC2
InChIInChI=1S/C17H23NO3/c1-18-15(9-10-16(19)21-2)17(20)14-8-7-12-5-3-4-6-13(12)11-14/h7-8,11,15,18H,3-6,9-10H2,1-2H3
InChIKeyLKISRKYIQZVTRJ-UHFFFAOYSA-N
MW289.38 g/mol
LogP2.29
Rot. Bonds6

About methyl 4-(methylamino)-5-oxo-5-(5,6,7,8-tetrahydronaphthalen-2-yl)pentanoate

methyl 4-(methylamino)-5-oxo-5-(5,6,7,8-tetrahydronaphthalen-2-yl)pentanoate (PubChem CID 82347867) has the molecular formula C17H23NO3 and a molecular weight of 289.38 g/mol. Its IUPAC name is methyl 4-(methylamino)-5-oxo-5-(5,6,7,8-tetrahydronaphthalen-2-yl)pentanoate.

Molecular Properties

Compound Namemethyl 4-(methylamino)-5-oxo-5-(5,6,7,8-tetrahydronaphthalen-2-yl)pentanoate
PubChem CID82347867
Molecular FormulaC17H23NO3
Molecular Weight289.38 g/mol
Exact Mass289.17
IUPAC Namemethyl 4-(methylamino)-5-oxo-5-(5,6,7,8-tetrahydronaphthalen-2-yl)pentanoate
SMILESCNC(CCC(=O)OC)C(=O)c1ccc2c(c1)CCCC2
InChIInChI=1S/C17H23NO3/c1-18-15(9-10-16(19)21-2)17(20)14-8-7-12-5-3-4-6-13(12)11-14/h7-8,11,15,18H,3-6,9-10H2,1-2H3
InChIKeyLKISRKYIQZVTRJ-UHFFFAOYSA-N
XLogP2.29
TPSA55.40 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500289.38
LogP ≤ 52.29
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

methyl 4-(methylamino)-5-oxo-5-(2-oxo-1,3-dihydroindol-5-yl)pentanoate
CID 82349947
methyl 4-(methylamino)-4-(5,6,7,8-tetrahydronaphthalen-2-yl)butanoate
CID 116955498
methyl 3-(ethylamino)-4-oxo-4-(5,6,7,8-tetrahydronaphthalen-2-yl)butanoate
CID 82347855
methyl 5-(2,3-dihydro-1H-inden-5-yl)-5-oxo-4-phenoxypentanoate
CID 90966411
methyl 4-(2,3-dihydro-1H-inden-5-yl)-3-(2-hydroxyethylamino)-4-oxobutanoate
CID 82348858
2-methyl-1-(5,6,7,8-tetrahydronaphthalen-2-yl)pentan-1-one
CID 43160270
methyl 5-(4-ethoxyphenyl)-4-(methylamino)-5-oxopentanoate
CID 82348457
1-O-methyl 4-O-(5,6,7,8-tetrahydronaphthalen-2-yl) butanedioate
CID 94274501
(2S)-1-(2,3-dihydro-1H-inden-5-yl)-2-(ethylamino)pentan-1-one
CID 125181304
methyl 4-(methylamino)-5-oxo-5-(2,4,6-trimethylphenyl)pentanoate
CID 82348948
2-(5,6,7,8-tetrahydronaphthalene-2-carbonyl)butanoic acid
CID 116922813
methyl 3-[2-(2,3-dihydro-1H-inden-5-yl)ethylamino]propanoate
CID 115232486

Frequently Asked Questions

What is the IUPAC name of methyl 4-(methylamino)-5-oxo-5-(5,6,7,8-tetrahydronaphthalen-2-yl)pentanoate?
The IUPAC name of methyl 4-(methylamino)-5-oxo-5-(5,6,7,8-tetrahydronaphthalen-2-yl)pentanoate (CID 82347867) is methyl 4-(methylamino)-5-oxo-5-(5,6,7,8-tetrahydronaphthalen-2-yl)pentanoate.
What is the SMILES notation for methyl 4-(methylamino)-5-oxo-5-(5,6,7,8-tetrahydronaphthalen-2-yl)pentanoate?
The canonical SMILES for methyl 4-(methylamino)-5-oxo-5-(5,6,7,8-tetrahydronaphthalen-2-yl)pentanoate is CNC(CCC(=O)OC)C(=O)c1ccc2c(c1)CCCC2.
What is the InChIKey of methyl 4-(methylamino)-5-oxo-5-(5,6,7,8-tetrahydronaphthalen-2-yl)pentanoate?
The InChIKey is LKISRKYIQZVTRJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H23NO3/c1-18-15(9-10-16(19)21-2)17(20)14-8-7-12-5-3-4-6-13(12)11-14/h7-8,11,15,18H,3-6,9-10H2,1-2H3.
What are the key properties of methyl 4-(methylamino)-5-oxo-5-(5,6,7,8-tetrahydronaphthalen-2-yl)pentanoate?
methyl 4-(methylamino)-5-oxo-5-(5,6,7,8-tetrahydronaphthalen-2-yl)pentanoate has a molecular weight of 289.38 g/mol, XLogP of 2.29, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 4-(methylamino)-5-oxo-5-(5,6,7,8-tetrahydronaphthalen-2-yl)pentanoate is sourced from PubChem (CID 82347867), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).