3-[pentyl-(2-phenylacetyl)amino]propanoic acid

C16H23NO3 — CID 82325109

IUPAC3-[pentyl-(2-phenylacetyl)amino]propanoic acid
SMILESCCCCCN(CCC(=O)O)C(=O)Cc1ccccc1
InChIInChI=1S/C16H23NO3/c1-2-3-7-11-17(12-10-16(19)20)15(18)13-14-8-5-4-6-9-14/h4-6,8-9H,2-3,7,10-13H2,1H3,(H,19,20)
InChIKeyMCVUZRNOIFPQBO-UHFFFAOYSA-N
MW277.36 g/mol
LogP2.72
Rot. Bonds9

About 3-[pentyl-(2-phenylacetyl)amino]propanoic acid

3-[pentyl-(2-phenylacetyl)amino]propanoic acid (PubChem CID 82325109) has the molecular formula C16H23NO3 and a molecular weight of 277.36 g/mol. Its IUPAC name is 3-[pentyl-(2-phenylacetyl)amino]propanoic acid.

Molecular Properties

Compound Name3-[pentyl-(2-phenylacetyl)amino]propanoic acid
PubChem CID82325109
Molecular FormulaC16H23NO3
Molecular Weight277.36 g/mol
Exact Mass277.17
IUPAC Name3-[pentyl-(2-phenylacetyl)amino]propanoic acid
SMILESCCCCCN(CCC(=O)O)C(=O)Cc1ccccc1
InChIInChI=1S/C16H23NO3/c1-2-3-7-11-17(12-10-16(19)20)15(18)13-14-8-5-4-6-9-14/h4-6,8-9H,2-3,7,10-13H2,1H3,(H,19,20)
InChIKeyMCVUZRNOIFPQBO-UHFFFAOYSA-N
XLogP2.72
TPSA57.61 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds9
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500277.36
LogP ≤ 52.72
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

Analyze 3-[pentyl-(2-phenylacetyl)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

3-[butyl-[2-(4-fluorophenyl)acetyl]amino]propanoic acid
CID 82325163
3-[2-(dimethylamino)ethyl-(2-phenylacetyl)amino]propanoic acid
CID 82325130
N,N-dihexyl-3-phenylpropanamide
CID 532921
3-[hexyl-(2-thiophen-2-ylacetyl)amino]propanoic acid
CID 82325058
3-[2-acetamidoethyl-(2-phenylacetyl)amino]propanoic acid
CID 82325112
3-[2-hydroxypropyl-(2-phenylacetyl)amino]propanoic acid
CID 82325107
3-[benzyl(pentanoyl)amino]propanoic acid
CID 82323494
3-[butanoyl(2-phenylethyl)amino]propanoic acid
CID 82323377
N-dodecyl-N-ethyl-3-phenylpropanamide
CID 91693976
N,N-dibutyl-2-(2-hydroxyphenyl)acetamide
CID 78916820
3-[2-carboxyethyl-[2-(4-fluorophenyl)acetyl]amino]propanoic acid
CID 82325169
2-(4-aminophenyl)-N,N-dibutylacetamide
CID 28982323

Frequently Asked Questions

What is the IUPAC name of 3-[pentyl-(2-phenylacetyl)amino]propanoic acid?
The IUPAC name of 3-[pentyl-(2-phenylacetyl)amino]propanoic acid (CID 82325109) is 3-[pentyl-(2-phenylacetyl)amino]propanoic acid.
What is the SMILES notation for 3-[pentyl-(2-phenylacetyl)amino]propanoic acid?
The canonical SMILES for 3-[pentyl-(2-phenylacetyl)amino]propanoic acid is CCCCCN(CCC(=O)O)C(=O)Cc1ccccc1.
What is the InChIKey of 3-[pentyl-(2-phenylacetyl)amino]propanoic acid?
The InChIKey is MCVUZRNOIFPQBO-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H23NO3/c1-2-3-7-11-17(12-10-16(19)20)15(18)13-14-8-5-4-6-9-14/h4-6,8-9H,2-3,7,10-13H2,1H3,(H,19,20).
What are the key properties of 3-[pentyl-(2-phenylacetyl)amino]propanoic acid?
3-[pentyl-(2-phenylacetyl)amino]propanoic acid has a molecular weight of 277.36 g/mol, XLogP of 2.72, 9 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[pentyl-(2-phenylacetyl)amino]propanoic acid is sourced from PubChem (CID 82325109), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).