5-amino-2-naphthalen-2-yloxypentanoic acid

C15H17NO3 — CID 112514781

IUPAC5-amino-2-naphthalen-2-yloxypentanoic acid
SMILESNCCCC(Oc1ccc2ccccc2c1)C(=O)O
InChIInChI=1S/C15H17NO3/c16-9-3-6-14(15(17)18)19-13-8-7-11-4-1-2-5-12(11)10-13/h1-2,4-5,7-8,10,14H,3,6,9,16H2,(H,17,18)
InChIKeyAOBZTAQMWSSMLG-UHFFFAOYSA-N
MW259.31 g/mol
LogP2.41
Rot. Bonds6

About 5-amino-2-naphthalen-2-yloxypentanoic acid

5-amino-2-naphthalen-2-yloxypentanoic acid (PubChem CID 112514781) has the molecular formula C15H17NO3 and a molecular weight of 259.31 g/mol. Its IUPAC name is 5-amino-2-naphthalen-2-yloxypentanoic acid.

Molecular Properties

Compound Name5-amino-2-naphthalen-2-yloxypentanoic acid
PubChem CID112514781
Molecular FormulaC15H17NO3
Molecular Weight259.31 g/mol
Exact Mass259.12
IUPAC Name5-amino-2-naphthalen-2-yloxypentanoic acid
SMILESNCCCC(Oc1ccc2ccccc2c1)C(=O)O
InChIInChI=1S/C15H17NO3/c16-9-3-6-14(15(17)18)19-13-8-7-11-4-1-2-5-12(11)10-13/h1-2,4-5,7-8,10,14H,3,6,9,16H2,(H,17,18)
InChIKeyAOBZTAQMWSSMLG-UHFFFAOYSA-N
XLogP2.41
TPSA72.55 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500259.31
LogP ≤ 52.41
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

4-(methylamino)-2-naphthalen-2-yloxybutanoic acid
CID 112519133
5-amino-2-(3-methylphenoxy)pentanoic acid
CID 112514325
4-naphthalen-2-yloxypentan-1-amine
CID 55076664
5-naphthalen-2-yloxyheptan-1-amine
CID 68866838
(2R)-2-naphthalen-2-yloxy-3-(4-phenoxyphenyl)propanoic acid
CID 100545011
6-amino-2-(4-ethoxyphenoxy)hexanoic acid
CID 112745829
(2R)-3-(4-ethylphenyl)-2-naphthalen-2-yloxypropanoic acid
CID 100530574
3-(4-butylphenyl)-2-naphthalen-2-yloxypropanoic acid
CID 133241307
(2S)-3-(3-methylphenyl)-2-naphthalen-2-yloxypropanoic acid
CID 100525262
(2R)-2-phenoxyhexanoic acid
CID 71401043
3-(4-chloro-2-methylphenyl)-2-naphthalen-2-yloxypropanoic acid
CID 133245510
(2S)-3-(4-chloro-2-methylphenyl)-2-naphthalen-2-yloxypropanoic acid
CID 100537301

Frequently Asked Questions

What is the IUPAC name of 5-amino-2-naphthalen-2-yloxypentanoic acid?
The IUPAC name of 5-amino-2-naphthalen-2-yloxypentanoic acid (CID 112514781) is 5-amino-2-naphthalen-2-yloxypentanoic acid.
What is the SMILES notation for 5-amino-2-naphthalen-2-yloxypentanoic acid?
The canonical SMILES for 5-amino-2-naphthalen-2-yloxypentanoic acid is NCCCC(Oc1ccc2ccccc2c1)C(=O)O.
What is the InChIKey of 5-amino-2-naphthalen-2-yloxypentanoic acid?
The InChIKey is AOBZTAQMWSSMLG-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H17NO3/c16-9-3-6-14(15(17)18)19-13-8-7-11-4-1-2-5-12(11)10-13/h1-2,4-5,7-8,10,14H,3,6,9,16H2,(H,17,18).
What are the key properties of 5-amino-2-naphthalen-2-yloxypentanoic acid?
5-amino-2-naphthalen-2-yloxypentanoic acid has a molecular weight of 259.31 g/mol, XLogP of 2.41, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-amino-2-naphthalen-2-yloxypentanoic acid is sourced from PubChem (CID 112514781), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).