4-(methylamino)-2-naphthalen-2-yloxybutanoic acid

C15H17NO3 — CID 112519133

IUPAC4-(methylamino)-2-naphthalen-2-yloxybutanoic acid
SMILESCNCCC(Oc1ccc2ccccc2c1)C(=O)O
InChIInChI=1S/C15H17NO3/c1-16-9-8-14(15(17)18)19-13-7-6-11-4-2-3-5-12(11)10-13/h2-7,10,14,16H,8-9H2,1H3,(H,17,18)
InChIKeyAAZHACAMJSVILW-UHFFFAOYSA-N
MW259.31 g/mol
LogP2.28
Rot. Bonds6

About 4-(methylamino)-2-naphthalen-2-yloxybutanoic acid

4-(methylamino)-2-naphthalen-2-yloxybutanoic acid (PubChem CID 112519133) has the molecular formula C15H17NO3 and a molecular weight of 259.31 g/mol. Its IUPAC name is 4-(methylamino)-2-naphthalen-2-yloxybutanoic acid.

Molecular Properties

Compound Name4-(methylamino)-2-naphthalen-2-yloxybutanoic acid
PubChem CID112519133
Molecular FormulaC15H17NO3
Molecular Weight259.31 g/mol
Exact Mass259.12
IUPAC Name4-(methylamino)-2-naphthalen-2-yloxybutanoic acid
SMILESCNCCC(Oc1ccc2ccccc2c1)C(=O)O
InChIInChI=1S/C15H17NO3/c1-16-9-8-14(15(17)18)19-13-7-6-11-4-2-3-5-12(11)10-13/h2-7,10,14,16H,8-9H2,1H3,(H,17,18)
InChIKeyAAZHACAMJSVILW-UHFFFAOYSA-N
XLogP2.28
TPSA58.56 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 ≤ 52.28
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

2-(3,4-dimethylphenoxy)-4-(methylamino)butanoic acid
CID 112518212
4-(methylamino)-2-(3-methylphenoxy)butanoic acid
CID 112517898
5-amino-2-naphthalen-2-yloxypentanoic acid
CID 112514781
2-(4-chlorophenoxy)-4-(methylamino)butanoic acid
CID 112518417
2-(2,3-dihydro-1H-inden-5-yloxy)-4-(methylamino)butanoic acid
CID 112518654
(2S)-3-(3,4-dimethylphenyl)-2-naphthalen-2-yloxypropanoic acid
CID 100528680
(3R)-N-methyl-3-naphthalen-2-yloxyhexan-1-amine;hydrochloride
CID 11609028
(2R)-3-(4-ethylphenyl)-2-naphthalen-2-yloxypropanoic acid
CID 100530574
(2S)-3-(3-methylphenyl)-2-naphthalen-2-yloxypropanoic acid
CID 100525262
(2R)-2-naphthalen-2-yloxy-3-(4-phenoxyphenyl)propanoic acid
CID 100545011
2-naphthalen-2-yloxypentanehydrazide
CID 54792972
(2S)-2-naphthalen-2-yloxy-N-[(1S)-1-phenylpropyl]butanamide
CID 28636082

Frequently Asked Questions

What is the IUPAC name of 4-(methylamino)-2-naphthalen-2-yloxybutanoic acid?
The IUPAC name of 4-(methylamino)-2-naphthalen-2-yloxybutanoic acid (CID 112519133) is 4-(methylamino)-2-naphthalen-2-yloxybutanoic acid.
What is the SMILES notation for 4-(methylamino)-2-naphthalen-2-yloxybutanoic acid?
The canonical SMILES for 4-(methylamino)-2-naphthalen-2-yloxybutanoic acid is CNCCC(Oc1ccc2ccccc2c1)C(=O)O.
What is the InChIKey of 4-(methylamino)-2-naphthalen-2-yloxybutanoic acid?
The InChIKey is AAZHACAMJSVILW-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H17NO3/c1-16-9-8-14(15(17)18)19-13-7-6-11-4-2-3-5-12(11)10-13/h2-7,10,14,16H,8-9H2,1H3,(H,17,18).
What are the key properties of 4-(methylamino)-2-naphthalen-2-yloxybutanoic acid?
4-(methylamino)-2-naphthalen-2-yloxybutanoic acid has a molecular weight of 259.31 g/mol, XLogP of 2.28, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(methylamino)-2-naphthalen-2-yloxybutanoic acid is sourced from PubChem (CID 112519133), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).