5-[1-(4-ethylphenyl)ethylamino]-5-oxopentanoic acid

C15H21NO3 — CID 60662045

IUPAC5-[1-(4-ethylphenyl)ethylamino]-5-oxopentanoic acid
SMILESCCc1ccc(C(C)NC(=O)CCCC(=O)O)cc1
InChIInChI=1S/C15H21NO3/c1-3-12-7-9-13(10-8-12)11(2)16-14(17)5-4-6-15(18)19/h7-11H,3-6H2,1-2H3,(H,16,17)(H,18,19)
InChIKeyZKINXPNBFFKBTQ-UHFFFAOYSA-N
MW263.34 g/mol
LogP2.68
Rot. Bonds7

About 5-[1-(4-ethylphenyl)ethylamino]-5-oxopentanoic acid

5-[1-(4-ethylphenyl)ethylamino]-5-oxopentanoic acid (PubChem CID 60662045) has the molecular formula C15H21NO3 and a molecular weight of 263.34 g/mol. Its IUPAC name is 5-[1-(4-ethylphenyl)ethylamino]-5-oxopentanoic acid.

Molecular Properties

Compound Name5-[1-(4-ethylphenyl)ethylamino]-5-oxopentanoic acid
PubChem CID60662045
Molecular FormulaC15H21NO3
Molecular Weight263.34 g/mol
Exact Mass263.15
IUPAC Name5-[1-(4-ethylphenyl)ethylamino]-5-oxopentanoic acid
SMILESCCc1ccc(C(C)NC(=O)CCCC(=O)O)cc1
InChIInChI=1S/C15H21NO3/c1-3-12-7-9-13(10-8-12)11(2)16-14(17)5-4-6-15(18)19/h7-11H,3-6H2,1-2H3,(H,16,17)(H,18,19)
InChIKeyZKINXPNBFFKBTQ-UHFFFAOYSA-N
XLogP2.68
TPSA66.40 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500263.34
LogP ≤ 52.68
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Analyze 5-[1-(4-ethylphenyl)ethylamino]-5-oxopentanoic 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-[1-(4-ethylphenyl)ethylamino]-3-oxopropanoic acid
CID 55049684
5-[1-(4-fluorophenyl)ethylamino]-5-oxopentanoic acid
CID 60662109
N-[(1R)-1-(4-ethylphenyl)ethyl]-4-phenoxybutanamide
CID 100521099
6-[1-(4-fluorophenyl)ethylamino]-6-oxohexanoic acid
CID 54867660
N-[1-(4-ethylphenyl)ethyl]-2-phenylacetamide
CID 2854113
N-[1-(4-ethylphenyl)ethyl]-3-oxobutanamide
CID 54896208
6-[1-(4-methylsulfanylphenyl)ethylamino]-6-oxohexanoic acid
CID 60942052
3-(4-ethylphenoxy)-N-[1-(4-ethylphenyl)ethyl]propanamide
CID 108795767
5-[1-(3,4-difluorophenyl)ethylamino]-5-oxopentanoic acid
CID 60662108
N-[1-(4-ethylphenyl)ethyl]-3-(4-fluorophenyl)propanamide
CID 127122521
N-[1-(4-ethylphenyl)ethyl]-3,3-diphenylpropanamide
CID 17326867
4-(4-acetylphenoxy)-N-[1-(4-ethylphenyl)ethyl]butanamide
CID 112762237

Frequently Asked Questions

What is the IUPAC name of 5-[1-(4-ethylphenyl)ethylamino]-5-oxopentanoic acid?
The IUPAC name of 5-[1-(4-ethylphenyl)ethylamino]-5-oxopentanoic acid (CID 60662045) is 5-[1-(4-ethylphenyl)ethylamino]-5-oxopentanoic acid.
What is the SMILES notation for 5-[1-(4-ethylphenyl)ethylamino]-5-oxopentanoic acid?
The canonical SMILES for 5-[1-(4-ethylphenyl)ethylamino]-5-oxopentanoic acid is CCc1ccc(C(C)NC(=O)CCCC(=O)O)cc1.
What is the InChIKey of 5-[1-(4-ethylphenyl)ethylamino]-5-oxopentanoic acid?
The InChIKey is ZKINXPNBFFKBTQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H21NO3/c1-3-12-7-9-13(10-8-12)11(2)16-14(17)5-4-6-15(18)19/h7-11H,3-6H2,1-2H3,(H,16,17)(H,18,19).
What are the key properties of 5-[1-(4-ethylphenyl)ethylamino]-5-oxopentanoic acid?
5-[1-(4-ethylphenyl)ethylamino]-5-oxopentanoic acid has a molecular weight of 263.34 g/mol, XLogP of 2.68, 7 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[1-(4-ethylphenyl)ethylamino]-5-oxopentanoic acid is sourced from PubChem (CID 60662045), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).