3-imidazol-1-yl-2-[[3-naphthalen-1-yl-2-(naphthalen-1-ylmethyl)propanoyl]amino]propanoic acid

C30H27N3O3 — CID 67720610

IUPAC3-imidazol-1-yl-2-[[3-naphthalen-1-yl-2-(naphthalen-1-ylmethyl)propanoyl]amino]propanoic acid
SMILESO=C(NC(Cn1ccnc1)C(=O)O)C(Cc1cccc2ccccc12)Cc1cccc2ccccc12
InChIInChI=1S/C30H27N3O3/c34-29(32-28(30(35)36)19-33-16-15-31-20-33)25(17-23-11-5-9-21-7-1-3-13-26(21)23)18-24-12-6-10-22-8-2-4-14-27(22)24/h1-16,20,25,28H,17-19H2,(H,32,34)(H,35,36)
InChIKeyUSOONHFOLZNMCP-UHFFFAOYSA-N
MW477.56 g/mol
LogP4.86
Rot. Bonds9

About 3-imidazol-1-yl-2-[[3-naphthalen-1-yl-2-(naphthalen-1-ylmethyl)propanoyl]amino]propanoic acid

3-imidazol-1-yl-2-[[3-naphthalen-1-yl-2-(naphthalen-1-ylmethyl)propanoyl]amino]propanoic acid (PubChem CID 67720610) has the molecular formula C30H27N3O3 and a molecular weight of 477.56 g/mol. Its IUPAC name is 3-imidazol-1-yl-2-[[3-naphthalen-1-yl-2-(naphthalen-1-ylmethyl)propanoyl]amino]propanoic acid.

Molecular Properties

Compound Name3-imidazol-1-yl-2-[[3-naphthalen-1-yl-2-(naphthalen-1-ylmethyl)propanoyl]amino]propanoic acid
PubChem CID67720610
Molecular FormulaC30H27N3O3
Molecular Weight477.56 g/mol
Exact Mass477.21
IUPAC Name3-imidazol-1-yl-2-[[3-naphthalen-1-yl-2-(naphthalen-1-ylmethyl)propanoyl]amino]propanoic acid
SMILESO=C(NC(Cn1ccnc1)C(=O)O)C(Cc1cccc2ccccc12)Cc1cccc2ccccc12
InChIInChI=1S/C30H27N3O3/c34-29(32-28(30(35)36)19-33-16-15-31-20-33)25(17-23-11-5-9-21-7-1-3-13-26(21)23)18-24-12-6-10-22-8-2-4-14-27(22)24/h1-16,20,25,28H,17-19H2,(H,32,34)(H,35,36)
InChIKeyUSOONHFOLZNMCP-UHFFFAOYSA-N
XLogP4.86
TPSA84.22 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds9
Heavy Atoms36
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500477.56
LogP ≤ 54.86
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Analyze 3-imidazol-1-yl-2-[[3-naphthalen-1-yl-2-(naphthalen-1-ylmethyl)propanoyl]amino]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

N-[1-[(3-imidazol-1-yl-1-oxo-1-phenylpropan-2-yl)amino]-3-methyl-1-oxobutan-2-yl]naphthalene-1-carboxamide
CID 162645989
3-[(2S)-1-imidazol-1-ylpropan-2-yl]-1-methyl-1-(2-naphthalen-1-ylethyl)urea
CID 95334652
2-benzyl-3-imidazol-1-ylpropanoic acid
CID 15018131
(E)-N-(1-imidazol-1-yl-3-phenylpropan-2-yl)-3-naphthalen-1-ylprop-2-enamide
CID 155683411
N-[1-hydroxy-3-(1H-imidazol-5-yl)propan-2-yl]-3-naphthalen-1-yl-2-(naphthalen-1-ylmethyl)propanamide
CID 19593545
(2R)-2-(hydroxymethyl)-3-naphthalen-1-ylpropanoic acid
CID 10466391
N-[2-(3-imidazol-1-ylpropylamino)-2-oxoethyl]-2-naphthalen-1-ylacetamide
CID 51162140
2-formamido-3-naphthalen-1-ylpropanoic acid
CID 23093218
N-[(2S)-3-(1H-imidazol-5-yl)-1-oxo-1-(2-phenylethylamino)propan-2-yl]-3-naphthalen-1-yl-2-(naphthalen-1-ylmethyl)propanamide
CID 54018973
2-(naphthalen-1-ylmethyl)-3-pyridin-3-ylpropanoic acid
CID 14252647
N-[3-(1H-imidazol-5-yl)-1-(methylamino)-1-oxopropan-2-yl]-3-naphthalen-1-yl-2-(naphthalen-1-ylmethyl)propanamide
CID 19593532
(2S)-2-[[(2R)-2-(acetyloxymethyl)-3-naphthalen-1-ylpropanoyl]amino]hexanoic acid
CID 10091476

Frequently Asked Questions

What is the IUPAC name of 3-imidazol-1-yl-2-[[3-naphthalen-1-yl-2-(naphthalen-1-ylmethyl)propanoyl]amino]propanoic acid?
The IUPAC name of 3-imidazol-1-yl-2-[[3-naphthalen-1-yl-2-(naphthalen-1-ylmethyl)propanoyl]amino]propanoic acid (CID 67720610) is 3-imidazol-1-yl-2-[[3-naphthalen-1-yl-2-(naphthalen-1-ylmethyl)propanoyl]amino]propanoic acid.
What is the SMILES notation for 3-imidazol-1-yl-2-[[3-naphthalen-1-yl-2-(naphthalen-1-ylmethyl)propanoyl]amino]propanoic acid?
The canonical SMILES for 3-imidazol-1-yl-2-[[3-naphthalen-1-yl-2-(naphthalen-1-ylmethyl)propanoyl]amino]propanoic acid is O=C(NC(Cn1ccnc1)C(=O)O)C(Cc1cccc2ccccc12)Cc1cccc2ccccc12.
What is the InChIKey of 3-imidazol-1-yl-2-[[3-naphthalen-1-yl-2-(naphthalen-1-ylmethyl)propanoyl]amino]propanoic acid?
The InChIKey is USOONHFOLZNMCP-UHFFFAOYSA-N. The full InChI is InChI=1S/C30H27N3O3/c34-29(32-28(30(35)36)19-33-16-15-31-20-33)25(17-23-11-5-9-21-7-1-3-13-26(21)23)18-24-12-6-10-22-8-2-4-14-27(22)24/h1-16,20,25,28H,17-19H2,(H,32,34)(H,35,36).
What are the key properties of 3-imidazol-1-yl-2-[[3-naphthalen-1-yl-2-(naphthalen-1-ylmethyl)propanoyl]amino]propanoic acid?
3-imidazol-1-yl-2-[[3-naphthalen-1-yl-2-(naphthalen-1-ylmethyl)propanoyl]amino]propanoic acid has a molecular weight of 477.56 g/mol, XLogP of 4.86, 9 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-imidazol-1-yl-2-[[3-naphthalen-1-yl-2-(naphthalen-1-ylmethyl)propanoyl]amino]propanoic acid is sourced from PubChem (CID 67720610), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).