3-[4-(naphthalen-2-ylmethylamino)phenyl]propanoic acid

C20H19NO2 — CID 24825491

IUPAC3-[4-(naphthalen-2-ylmethylamino)phenyl]propanoic acid
SMILESO=C(O)CCc1ccc(NCc2ccc3ccccc3c2)cc1
InChIInChI=1S/C20H19NO2/c22-20(23)12-8-15-6-10-19(11-7-15)21-14-16-5-9-17-3-1-2-4-18(17)13-16/h1-7,9-11,13,21H,8,12,14H2,(H,22,23)
InChIKeyKDDGACYEIKQVHF-UHFFFAOYSA-N
MW305.38 g/mol
LogP4.47
Rot. Bonds6

About 3-[4-(naphthalen-2-ylmethylamino)phenyl]propanoic acid

3-[4-(naphthalen-2-ylmethylamino)phenyl]propanoic acid (PubChem CID 24825491) has the molecular formula C20H19NO2 and a molecular weight of 305.38 g/mol. Its IUPAC name is 3-[4-(naphthalen-2-ylmethylamino)phenyl]propanoic acid.

Molecular Properties

Compound Name3-[4-(naphthalen-2-ylmethylamino)phenyl]propanoic acid
PubChem CID24825491
Molecular FormulaC20H19NO2
Molecular Weight305.38 g/mol
Exact Mass305.14
IUPAC Name3-[4-(naphthalen-2-ylmethylamino)phenyl]propanoic acid
SMILESO=C(O)CCc1ccc(NCc2ccc3ccccc3c2)cc1
InChIInChI=1S/C20H19NO2/c22-20(23)12-8-15-6-10-19(11-7-15)21-14-16-5-9-17-3-1-2-4-18(17)13-16/h1-7,9-11,13,21H,8,12,14H2,(H,22,23)
InChIKeyKDDGACYEIKQVHF-UHFFFAOYSA-N
XLogP4.47
TPSA49.33 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500305.38
LogP ≤ 54.47
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Analyze 3-[4-(naphthalen-2-ylmethylamino)phenyl]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

Frequently Asked Questions

What is the IUPAC name of 3-[4-(naphthalen-2-ylmethylamino)phenyl]propanoic acid?
The IUPAC name of 3-[4-(naphthalen-2-ylmethylamino)phenyl]propanoic acid (CID 24825491) is 3-[4-(naphthalen-2-ylmethylamino)phenyl]propanoic acid.
What is the SMILES notation for 3-[4-(naphthalen-2-ylmethylamino)phenyl]propanoic acid?
The canonical SMILES for 3-[4-(naphthalen-2-ylmethylamino)phenyl]propanoic acid is O=C(O)CCc1ccc(NCc2ccc3ccccc3c2)cc1.
What is the InChIKey of 3-[4-(naphthalen-2-ylmethylamino)phenyl]propanoic acid?
The InChIKey is KDDGACYEIKQVHF-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H19NO2/c22-20(23)12-8-15-6-10-19(11-7-15)21-14-16-5-9-17-3-1-2-4-18(17)13-16/h1-7,9-11,13,21H,8,12,14H2,(H,22,23).
What are the key properties of 3-[4-(naphthalen-2-ylmethylamino)phenyl]propanoic acid?
3-[4-(naphthalen-2-ylmethylamino)phenyl]propanoic acid has a molecular weight of 305.38 g/mol, XLogP of 4.47, 6 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[4-(naphthalen-2-ylmethylamino)phenyl]propanoic acid is sourced from PubChem (CID 24825491), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).