5-[2-(4-ethylphenyl)ethylamino]-5-oxopentanoic acid

C15H21NO3 — CID 94693925

IUPAC5-[2-(4-ethylphenyl)ethylamino]-5-oxopentanoic acid
SMILESCCc1ccc(CCNC(=O)CCCC(=O)O)cc1
InChIInChI=1S/C15H21NO3/c1-2-12-6-8-13(9-7-12)10-11-16-14(17)4-3-5-15(18)19/h6-9H,2-5,10-11H2,1H3,(H,16,17)(H,18,19)
InChIKeyIVOVOFPAKFEEDU-UHFFFAOYSA-N
MW263.34 g/mol
LogP2.16
Rot. Bonds8

About 5-[2-(4-ethylphenyl)ethylamino]-5-oxopentanoic acid

5-[2-(4-ethylphenyl)ethylamino]-5-oxopentanoic acid (PubChem CID 94693925) has the molecular formula C15H21NO3 and a molecular weight of 263.34 g/mol. Its IUPAC name is 5-[2-(4-ethylphenyl)ethylamino]-5-oxopentanoic acid.

Molecular Properties

Compound Name5-[2-(4-ethylphenyl)ethylamino]-5-oxopentanoic acid
PubChem CID94693925
Molecular FormulaC15H21NO3
Molecular Weight263.34 g/mol
Exact Mass263.15
IUPAC Name5-[2-(4-ethylphenyl)ethylamino]-5-oxopentanoic acid
SMILESCCc1ccc(CCNC(=O)CCCC(=O)O)cc1
InChIInChI=1S/C15H21NO3/c1-2-12-6-8-13(9-7-12)10-11-16-14(17)4-3-5-15(18)19/h6-9H,2-5,10-11H2,1H3,(H,16,17)(H,18,19)
InChIKeyIVOVOFPAKFEEDU-UHFFFAOYSA-N
XLogP2.16
TPSA66.40 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds8
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500263.34
LogP ≤ 52.16
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Analyze 5-[2-(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

6-[2-(4-aminophenyl)ethylamino]-6-oxohexanoic acid
CID 110483471
4-oxo-4-[2-(4-propylphenyl)ethylamino]butanoic acid
CID 115163721
4-[4-(4-propylphenyl)butanoylamino]butanoic acid
CID 82224500
5-[[2-(4-ethylphenyl)acetyl]amino]pentanoic acid
CID 119235222
N-[2-(4-ethylphenyl)ethyl]-N'-[4-[(E)-2-phenylethenyl]phenyl]pentanediamide
CID 130369826
3-(4-ethylphenyl)-N-[2-(4-fluorophenyl)ethyl]propanamide
CID 94866860
4-phenyl-N-(2-phenylethyl)butanamide;propane
CID 143447835
3-cyano-N-[2-(4-ethylphenyl)ethyl]propanamide
CID 94685245
2-amino-N-[2-(4-ethylphenyl)ethyl]acetamide
CID 94681068
5-[2-(3-methylphenyl)ethylamino]-5-oxopentanoic acid
CID 62314996
3-[2-(4-ethylphenyl)ethylcarbamoyl-methylamino]propanoic acid
CID 122002816
5-oxo-N-(2-phenylethyl)octanamide
CID 90063979

Frequently Asked Questions

What is the IUPAC name of 5-[2-(4-ethylphenyl)ethylamino]-5-oxopentanoic acid?
The IUPAC name of 5-[2-(4-ethylphenyl)ethylamino]-5-oxopentanoic acid (CID 94693925) is 5-[2-(4-ethylphenyl)ethylamino]-5-oxopentanoic acid.
What is the SMILES notation for 5-[2-(4-ethylphenyl)ethylamino]-5-oxopentanoic acid?
The canonical SMILES for 5-[2-(4-ethylphenyl)ethylamino]-5-oxopentanoic acid is CCc1ccc(CCNC(=O)CCCC(=O)O)cc1.
What is the InChIKey of 5-[2-(4-ethylphenyl)ethylamino]-5-oxopentanoic acid?
The InChIKey is IVOVOFPAKFEEDU-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H21NO3/c1-2-12-6-8-13(9-7-12)10-11-16-14(17)4-3-5-15(18)19/h6-9H,2-5,10-11H2,1H3,(H,16,17)(H,18,19).
What are the key properties of 5-[2-(4-ethylphenyl)ethylamino]-5-oxopentanoic acid?
5-[2-(4-ethylphenyl)ethylamino]-5-oxopentanoic acid has a molecular weight of 263.34 g/mol, XLogP of 2.16, 8 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[2-(4-ethylphenyl)ethylamino]-5-oxopentanoic acid is sourced from PubChem (CID 94693925), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).