5-(naphthalen-1-ylamino)-5-oxopentanoic acid

C15H15NO3 — CID 766453

IUPAC5-(naphthalen-1-ylamino)-5-oxopentanoic acid
SMILESO=C(O)CCCC(=O)Nc1cccc2ccccc12
InChIInChI=1S/C15H15NO3/c17-14(9-4-10-15(18)19)16-13-8-3-6-11-5-1-2-7-12(11)13/h1-3,5-8H,4,9-10H2,(H,16,17)(H,18,19)
InChIKeyGTPRIMOKYYGGHJ-UHFFFAOYSA-N
MW257.29 g/mol
LogP3.03
Rot. Bonds5

About 5-(naphthalen-1-ylamino)-5-oxopentanoic acid

5-(naphthalen-1-ylamino)-5-oxopentanoic acid (PubChem CID 766453) has the molecular formula C15H15NO3 and a molecular weight of 257.29 g/mol. Its IUPAC name is 5-(naphthalen-1-ylamino)-5-oxopentanoic acid.

Molecular Properties

Compound Name5-(naphthalen-1-ylamino)-5-oxopentanoic acid
PubChem CID766453
Molecular FormulaC15H15NO3
Molecular Weight257.29 g/mol
Exact Mass257.11
IUPAC Name5-(naphthalen-1-ylamino)-5-oxopentanoic acid
SMILESO=C(O)CCCC(=O)Nc1cccc2ccccc12
InChIInChI=1S/C15H15NO3/c17-14(9-4-10-15(18)19)16-13-8-3-6-11-5-1-2-7-12(11)13/h1-3,5-8H,4,9-10H2,(H,16,17)(H,18,19)
InChIKeyGTPRIMOKYYGGHJ-UHFFFAOYSA-N
XLogP3.03
TPSA66.40 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500257.29
LogP ≤ 53.03
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 5-(naphthalen-1-ylamino)-5-oxopentanoic acid?
The IUPAC name of 5-(naphthalen-1-ylamino)-5-oxopentanoic acid (CID 766453) is 5-(naphthalen-1-ylamino)-5-oxopentanoic acid.
What is the SMILES notation for 5-(naphthalen-1-ylamino)-5-oxopentanoic acid?
The canonical SMILES for 5-(naphthalen-1-ylamino)-5-oxopentanoic acid is O=C(O)CCCC(=O)Nc1cccc2ccccc12.
What is the InChIKey of 5-(naphthalen-1-ylamino)-5-oxopentanoic acid?
The InChIKey is GTPRIMOKYYGGHJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H15NO3/c17-14(9-4-10-15(18)19)16-13-8-3-6-11-5-1-2-7-12(11)13/h1-3,5-8H,4,9-10H2,(H,16,17)(H,18,19).
What are the key properties of 5-(naphthalen-1-ylamino)-5-oxopentanoic acid?
5-(naphthalen-1-ylamino)-5-oxopentanoic acid has a molecular weight of 257.29 g/mol, XLogP of 3.03, 5 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(naphthalen-1-ylamino)-5-oxopentanoic acid is sourced from PubChem (CID 766453), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).