5-[2-(3,4-dihydronaphthalen-1-yl)ethylamino]-5-oxopentanoic acid

C17H21NO3 — CID 123293496

IUPAC5-[2-(3,4-dihydronaphthalen-1-yl)ethylamino]-5-oxopentanoic acid
SMILESO=C(O)CCCC(=O)NCCC1=CCCc2ccccc21
InChIInChI=1S/C17H21NO3/c19-16(9-4-10-17(20)21)18-12-11-14-7-3-6-13-5-1-2-8-15(13)14/h1-2,5,7-8H,3-4,6,9-12H2,(H,18,19)(H,20,21)
InChIKeyPEUMIKFEZKIYRJ-UHFFFAOYSA-N
MW287.36 g/mol
LogP2.78
Rot. Bonds7

About 5-[2-(3,4-dihydronaphthalen-1-yl)ethylamino]-5-oxopentanoic acid

5-[2-(3,4-dihydronaphthalen-1-yl)ethylamino]-5-oxopentanoic acid (PubChem CID 123293496) has the molecular formula C17H21NO3 and a molecular weight of 287.36 g/mol. Its IUPAC name is 5-[2-(3,4-dihydronaphthalen-1-yl)ethylamino]-5-oxopentanoic acid.

Molecular Properties

Compound Name5-[2-(3,4-dihydronaphthalen-1-yl)ethylamino]-5-oxopentanoic acid
PubChem CID123293496
Molecular FormulaC17H21NO3
Molecular Weight287.36 g/mol
Exact Mass287.15
IUPAC Name5-[2-(3,4-dihydronaphthalen-1-yl)ethylamino]-5-oxopentanoic acid
SMILESO=C(O)CCCC(=O)NCCC1=CCCc2ccccc21
InChIInChI=1S/C17H21NO3/c19-16(9-4-10-17(20)21)18-12-11-14-7-3-6-13-5-1-2-8-15(13)14/h1-2,5,7-8H,3-4,6,9-12H2,(H,18,19)(H,20,21)
InChIKeyPEUMIKFEZKIYRJ-UHFFFAOYSA-N
XLogP2.78
TPSA66.40 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500287.36
LogP ≤ 52.78
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 5-[2-(3,4-dihydronaphthalen-1-yl)ethylamino]-5-oxopentanoic acid?
The IUPAC name of 5-[2-(3,4-dihydronaphthalen-1-yl)ethylamino]-5-oxopentanoic acid (CID 123293496) is 5-[2-(3,4-dihydronaphthalen-1-yl)ethylamino]-5-oxopentanoic acid.
What is the SMILES notation for 5-[2-(3,4-dihydronaphthalen-1-yl)ethylamino]-5-oxopentanoic acid?
The canonical SMILES for 5-[2-(3,4-dihydronaphthalen-1-yl)ethylamino]-5-oxopentanoic acid is O=C(O)CCCC(=O)NCCC1=CCCc2ccccc21.
What is the InChIKey of 5-[2-(3,4-dihydronaphthalen-1-yl)ethylamino]-5-oxopentanoic acid?
The InChIKey is PEUMIKFEZKIYRJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H21NO3/c19-16(9-4-10-17(20)21)18-12-11-14-7-3-6-13-5-1-2-8-15(13)14/h1-2,5,7-8H,3-4,6,9-12H2,(H,18,19)(H,20,21).
What are the key properties of 5-[2-(3,4-dihydronaphthalen-1-yl)ethylamino]-5-oxopentanoic acid?
5-[2-(3,4-dihydronaphthalen-1-yl)ethylamino]-5-oxopentanoic acid has a molecular weight of 287.36 g/mol, XLogP of 2.78, 7 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[2-(3,4-dihydronaphthalen-1-yl)ethylamino]-5-oxopentanoic acid is sourced from PubChem (CID 123293496), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).