2-[2-naphthalen-2-yloxyethyl(propyl)amino]acetic acid

C17H21NO3 — CID 61007729

IUPAC2-[2-naphthalen-2-yloxyethyl(propyl)amino]acetic acid
SMILESCCCN(CCOc1ccc2ccccc2c1)CC(=O)O
InChIInChI=1S/C17H21NO3/c1-2-9-18(13-17(19)20)10-11-21-16-8-7-14-5-3-4-6-15(14)12-16/h3-8,12H,2,9-11,13H2,1H3,(H,19,20)
InChIKeyHQMSYOXJKMTUSR-UHFFFAOYSA-N
MW287.36 g/mol
LogP3.02
Rot. Bonds8

About 2-[2-naphthalen-2-yloxyethyl(propyl)amino]acetic acid

2-[2-naphthalen-2-yloxyethyl(propyl)amino]acetic acid (PubChem CID 61007729) has the molecular formula C17H21NO3 and a molecular weight of 287.36 g/mol. Its IUPAC name is 2-[2-naphthalen-2-yloxyethyl(propyl)amino]acetic acid.

Molecular Properties

Compound Name2-[2-naphthalen-2-yloxyethyl(propyl)amino]acetic acid
PubChem CID61007729
Molecular FormulaC17H21NO3
Molecular Weight287.36 g/mol
Exact Mass287.15
IUPAC Name2-[2-naphthalen-2-yloxyethyl(propyl)amino]acetic acid
SMILESCCCN(CCOc1ccc2ccccc2c1)CC(=O)O
InChIInChI=1S/C17H21NO3/c1-2-9-18(13-17(19)20)10-11-21-16-8-7-14-5-3-4-6-15(14)12-16/h3-8,12H,2,9-11,13H2,1H3,(H,19,20)
InChIKeyHQMSYOXJKMTUSR-UHFFFAOYSA-N
XLogP3.02
TPSA49.77 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500287.36
LogP ≤ 53.02
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-[ethyl(2-naphthalen-2-yloxyethyl)amino]acetic acid
CID 61011595
2-[2-(4-methylphenoxy)ethyl-propylamino]acetic acid
CID 61007102
2-[2-(2-chlorophenoxy)ethyl-propylamino]acetic acid
CID 54899208
3-[methyl(3-naphthalen-2-yloxypropyl)amino]propanoic acid
CID 82224138
2-[(6-methoxynaphthalen-2-yl)methyl-propylamino]acetic acid
CID 65064840
2-[2-phenylsulfanylethyl(propyl)amino]acetic acid
CID 79227310
1-(dipropylamino)-3-naphthalen-2-yloxypropan-2-ol;hydrochloride
CID 2834359
N,N-diethyl-4-naphthalen-2-yloxybutan-1-amine
CID 5333118
7-naphthalen-2-yloxyheptanoic acid
CID 39371628
3-[[6-(5-phenylpentoxy)naphthalen-2-yl]methyl-propylamino]propanoic acid
CID 23121570
2-[(4-methoxyphenyl)methyl-propylamino]acetic acid
CID 55026148
1-(2-naphthalen-2-yloxyethyl)-3-propylurea
CID 95904010

Frequently Asked Questions

What is the IUPAC name of 2-[2-naphthalen-2-yloxyethyl(propyl)amino]acetic acid?
The IUPAC name of 2-[2-naphthalen-2-yloxyethyl(propyl)amino]acetic acid (CID 61007729) is 2-[2-naphthalen-2-yloxyethyl(propyl)amino]acetic acid.
What is the SMILES notation for 2-[2-naphthalen-2-yloxyethyl(propyl)amino]acetic acid?
The canonical SMILES for 2-[2-naphthalen-2-yloxyethyl(propyl)amino]acetic acid is CCCN(CCOc1ccc2ccccc2c1)CC(=O)O.
What is the InChIKey of 2-[2-naphthalen-2-yloxyethyl(propyl)amino]acetic acid?
The InChIKey is HQMSYOXJKMTUSR-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H21NO3/c1-2-9-18(13-17(19)20)10-11-21-16-8-7-14-5-3-4-6-15(14)12-16/h3-8,12H,2,9-11,13H2,1H3,(H,19,20).
What are the key properties of 2-[2-naphthalen-2-yloxyethyl(propyl)amino]acetic acid?
2-[2-naphthalen-2-yloxyethyl(propyl)amino]acetic acid has a molecular weight of 287.36 g/mol, XLogP of 3.02, 8 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-naphthalen-2-yloxyethyl(propyl)amino]acetic acid is sourced from PubChem (CID 61007729), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).