3-[(2-ethoxynaphthalen-1-yl)methylamino]propanoic acid

C16H19NO3 — CID 102536565

IUPAC3-[(2-ethoxynaphthalen-1-yl)methylamino]propanoic acid
SMILESCCOc1ccc2ccccc2c1CNCCC(=O)O
InChIInChI=1S/C16H19NO3/c1-2-20-15-8-7-12-5-3-4-6-13(12)14(15)11-17-10-9-16(18)19/h3-8,17H,2,9-11H2,1H3,(H,18,19)
InChIKeyKJDFKMIWDZIBIL-UHFFFAOYSA-N
MW273.33 g/mol
LogP2.80
Rot. Bonds7

About 3-[(2-ethoxynaphthalen-1-yl)methylamino]propanoic acid

3-[(2-ethoxynaphthalen-1-yl)methylamino]propanoic acid (PubChem CID 102536565) has the molecular formula C16H19NO3 and a molecular weight of 273.33 g/mol. Its IUPAC name is 3-[(2-ethoxynaphthalen-1-yl)methylamino]propanoic acid.

Molecular Properties

Compound Name3-[(2-ethoxynaphthalen-1-yl)methylamino]propanoic acid
PubChem CID102536565
Molecular FormulaC16H19NO3
Molecular Weight273.33 g/mol
Exact Mass273.14
IUPAC Name3-[(2-ethoxynaphthalen-1-yl)methylamino]propanoic acid
SMILESCCOc1ccc2ccccc2c1CNCCC(=O)O
InChIInChI=1S/C16H19NO3/c1-2-20-15-8-7-12-5-3-4-6-13(12)14(15)11-17-10-9-16(18)19/h3-8,17H,2,9-11H2,1H3,(H,18,19)
InChIKeyKJDFKMIWDZIBIL-UHFFFAOYSA-N
XLogP2.80
TPSA58.56 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500273.33
LogP ≤ 52.80
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

Analyze 3-[(2-ethoxynaphthalen-1-yl)methylamino]propanoic acid with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

3-(2-ethoxynaphthalen-1-yl)propanoic acid
CID 9149906
N'-[(2-ethoxynaphthalen-1-yl)methyl]-N-ethylpropane-1,3-diamine;dihydrochloride
CID 17215613
N-[(2-ethoxynaphthalen-1-yl)methyl]octan-1-amine
CID 4722807
N-[(2-ethoxynaphthalen-1-yl)methyl]-3-propan-2-yloxypropan-1-amine
CID 17209000
4-[(2-ethoxynaphthalen-1-yl)methylamino]-4-oxobutanoate
CID 9151494
N-[[2-(2-methoxyethoxy)naphthalen-1-yl]methyl]propan-1-amine
CID 43505546
2-[1-(ethylaminomethyl)naphthalen-2-yl]oxyacetamide;hydrochloride
CID 17053536
N-[(2-ethoxynaphthalen-1-yl)methyl]-1-(4-methylphenyl)methanamine;hydrochloride
CID 17332522
N-[(2-ethoxynaphthalen-1-yl)methyl]-1-(furan-2-yl)methanamine
CID 4723209
N-tert-butyl-2-[1-[(3-ethoxypropylamino)methyl]naphthalen-2-yl]oxyacetamide
CID 17053659
N-[(2-ethoxynaphthalen-1-yl)methyl]-2-morpholin-4-ylethanamine;hydrochloride
CID 6603331
3-(2-ethoxynaphthalen-1-yl)-3-oxopropanoic acid
CID 170886868

Frequently Asked Questions

What is the IUPAC name of 3-[(2-ethoxynaphthalen-1-yl)methylamino]propanoic acid?
The IUPAC name of 3-[(2-ethoxynaphthalen-1-yl)methylamino]propanoic acid (CID 102536565) is 3-[(2-ethoxynaphthalen-1-yl)methylamino]propanoic acid.
What is the SMILES notation for 3-[(2-ethoxynaphthalen-1-yl)methylamino]propanoic acid?
The canonical SMILES for 3-[(2-ethoxynaphthalen-1-yl)methylamino]propanoic acid is CCOc1ccc2ccccc2c1CNCCC(=O)O.
What is the InChIKey of 3-[(2-ethoxynaphthalen-1-yl)methylamino]propanoic acid?
The InChIKey is KJDFKMIWDZIBIL-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H19NO3/c1-2-20-15-8-7-12-5-3-4-6-13(12)14(15)11-17-10-9-16(18)19/h3-8,17H,2,9-11H2,1H3,(H,18,19).
What are the key properties of 3-[(2-ethoxynaphthalen-1-yl)methylamino]propanoic acid?
3-[(2-ethoxynaphthalen-1-yl)methylamino]propanoic acid has a molecular weight of 273.33 g/mol, XLogP of 2.80, 7 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(2-ethoxynaphthalen-1-yl)methylamino]propanoic acid is sourced from PubChem (CID 102536565), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).