3-[methyl(3-naphthalen-2-yloxypropyl)amino]propanoic acid

C17H21NO3 — CID 82224138

IUPAC3-[methyl(3-naphthalen-2-yloxypropyl)amino]propanoic acid
SMILESCN(CCCOc1ccc2ccccc2c1)CCC(=O)O
InChIInChI=1S/C17H21NO3/c1-18(11-9-17(19)20)10-4-12-21-16-8-7-14-5-2-3-6-15(14)13-16/h2-3,5-8,13H,4,9-12H2,1H3,(H,19,20)
InChIKeyVFEBPWDIFJPEFS-UHFFFAOYSA-N
MW287.36 g/mol
LogP3.02
Rot. Bonds8

About 3-[methyl(3-naphthalen-2-yloxypropyl)amino]propanoic acid

3-[methyl(3-naphthalen-2-yloxypropyl)amino]propanoic acid (PubChem CID 82224138) has the molecular formula C17H21NO3 and a molecular weight of 287.36 g/mol. Its IUPAC name is 3-[methyl(3-naphthalen-2-yloxypropyl)amino]propanoic acid.

Molecular Properties

Compound Name3-[methyl(3-naphthalen-2-yloxypropyl)amino]propanoic acid
PubChem CID82224138
Molecular FormulaC17H21NO3
Molecular Weight287.36 g/mol
Exact Mass287.15
IUPAC Name3-[methyl(3-naphthalen-2-yloxypropyl)amino]propanoic acid
SMILESCN(CCCOc1ccc2ccccc2c1)CCC(=O)O
InChIInChI=1S/C17H21NO3/c1-18(11-9-17(19)20)10-4-12-21-16-8-7-14-5-2-3-6-15(14)13-16/h2-3,5-8,13H,4,9-12H2,1H3,(H,19,20)
InChIKeyVFEBPWDIFJPEFS-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

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

3-[methyl-[3-(4-phenoxyphenoxy)propyl]amino]propanoic acid
CID 11823669
7-naphthalen-2-yloxyheptanoic acid
CID 39371628
3-[3-(4-chlorophenoxy)propyl-methylamino]propanoic acid
CID 19816774
4-[3-(3-chlorophenoxy)propyl-methylamino]butanoic acid
CID 119134826
N,N-dimethyl-4-naphthalen-2-yloxybutan-1-amine
CID 59083731
2-[ethyl(2-naphthalen-2-yloxyethyl)amino]acetic acid
CID 61011595
7-naphthalen-2-yloxyhept-1-en-2-ol;7-phenoxyheptanoic acid
CID 142555258
2-[2-naphthalen-2-yloxyethyl(propyl)amino]acetic acid
CID 61007729
5-naphthalen-1-yloxypentanoic acid;5-naphthalen-2-yloxypentanoic acid
CID 138543521
3-[2-[3-(dimethylamino)phenoxy]ethyl-methylamino]propanoic acid
CID 82224178
3-[methyl-[2-(3-methyl-4-propan-2-ylphenoxy)ethyl]amino]propanoic acid
CID 60987347
ethyl 3-[methyl(3-phenoxypropyl)amino]propanoate
CID 19816767

Frequently Asked Questions

What is the IUPAC name of 3-[methyl(3-naphthalen-2-yloxypropyl)amino]propanoic acid?
The IUPAC name of 3-[methyl(3-naphthalen-2-yloxypropyl)amino]propanoic acid (CID 82224138) is 3-[methyl(3-naphthalen-2-yloxypropyl)amino]propanoic acid.
What is the SMILES notation for 3-[methyl(3-naphthalen-2-yloxypropyl)amino]propanoic acid?
The canonical SMILES for 3-[methyl(3-naphthalen-2-yloxypropyl)amino]propanoic acid is CN(CCCOc1ccc2ccccc2c1)CCC(=O)O.
What is the InChIKey of 3-[methyl(3-naphthalen-2-yloxypropyl)amino]propanoic acid?
The InChIKey is VFEBPWDIFJPEFS-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H21NO3/c1-18(11-9-17(19)20)10-4-12-21-16-8-7-14-5-2-3-6-15(14)13-16/h2-3,5-8,13H,4,9-12H2,1H3,(H,19,20).
What are the key properties of 3-[methyl(3-naphthalen-2-yloxypropyl)amino]propanoic acid?
3-[methyl(3-naphthalen-2-yloxypropyl)amino]propanoic 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 3-[methyl(3-naphthalen-2-yloxypropyl)amino]propanoic acid is sourced from PubChem (CID 82224138), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).