4-oxo-4-[2-(4-propylphenyl)ethylamino]butanoic acid

C15H21NO3 — CID 115163721

IUPAC4-oxo-4-[2-(4-propylphenyl)ethylamino]butanoic acid
SMILESCCCc1ccc(CCNC(=O)CCC(=O)O)cc1
InChIInChI=1S/C15H21NO3/c1-2-3-12-4-6-13(7-5-12)10-11-16-14(17)8-9-15(18)19/h4-7H,2-3,8-11H2,1H3,(H,16,17)(H,18,19)
InChIKeyVSTSFDDSTJFYOR-UHFFFAOYSA-N
MW263.34 g/mol
LogP2.16
Rot. Bonds8

About 4-oxo-4-[2-(4-propylphenyl)ethylamino]butanoic acid

4-oxo-4-[2-(4-propylphenyl)ethylamino]butanoic acid (PubChem CID 115163721) has the molecular formula C15H21NO3 and a molecular weight of 263.34 g/mol. Its IUPAC name is 4-oxo-4-[2-(4-propylphenyl)ethylamino]butanoic acid.

Molecular Properties

Compound Name4-oxo-4-[2-(4-propylphenyl)ethylamino]butanoic acid
PubChem CID115163721
Molecular FormulaC15H21NO3
Molecular Weight263.34 g/mol
Exact Mass263.15
IUPAC Name4-oxo-4-[2-(4-propylphenyl)ethylamino]butanoic acid
SMILESCCCc1ccc(CCNC(=O)CCC(=O)O)cc1
InChIInChI=1S/C15H21NO3/c1-2-3-12-4-6-13(7-5-12)10-11-16-14(17)8-9-15(18)19/h4-7H,2-3,8-11H2,1H3,(H,16,17)(H,18,19)
InChIKeyVSTSFDDSTJFYOR-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 4-oxo-4-[2-(4-propylphenyl)ethylamino]butanoic 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

4-[4-(4-propylphenyl)butanoylamino]butanoic acid
CID 82224500
5-[2-(4-ethylphenyl)ethylamino]-5-oxopentanoic acid
CID 94693925
4-[2-[4-(4-methoxyphenoxy)phenyl]ethylamino]-4-oxobutanoic acid
CID 20991677
4-[2-(butanoylamino)ethyl]benzoic acid
CID 43665716
4-oxo-N-propyl-4-(4-propylphenyl)butanamide
CID 94273839
4-[2-[4-[2-(4-methylphenoxy)ethoxy]phenyl]ethylamino]-4-oxobutanoic acid
CID 22682762
N-[2-(4-chlorophenyl)ethyl]butanamide
CID 60628099
N-[2-(4-fluorophenyl)ethyl]butanamide
CID 773504
4-[2-(3-ethoxy-4-hydroxyphenyl)ethylamino]-4-oxobutanoic acid
CID 9151773
N-[2-(3-phenylpropanoylamino)ethyl]butanamide
CID 108573772
N-[2-(4-hydroxyphenyl)ethyl]hexanamide
CID 21446637
6-[2-(4-aminophenyl)ethylamino]-6-oxohexanoic acid
CID 110483471

Frequently Asked Questions

What is the IUPAC name of 4-oxo-4-[2-(4-propylphenyl)ethylamino]butanoic acid?
The IUPAC name of 4-oxo-4-[2-(4-propylphenyl)ethylamino]butanoic acid (CID 115163721) is 4-oxo-4-[2-(4-propylphenyl)ethylamino]butanoic acid.
What is the SMILES notation for 4-oxo-4-[2-(4-propylphenyl)ethylamino]butanoic acid?
The canonical SMILES for 4-oxo-4-[2-(4-propylphenyl)ethylamino]butanoic acid is CCCc1ccc(CCNC(=O)CCC(=O)O)cc1.
What is the InChIKey of 4-oxo-4-[2-(4-propylphenyl)ethylamino]butanoic acid?
The InChIKey is VSTSFDDSTJFYOR-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H21NO3/c1-2-3-12-4-6-13(7-5-12)10-11-16-14(17)8-9-15(18)19/h4-7H,2-3,8-11H2,1H3,(H,16,17)(H,18,19).
What are the key properties of 4-oxo-4-[2-(4-propylphenyl)ethylamino]butanoic acid?
4-oxo-4-[2-(4-propylphenyl)ethylamino]butanoic 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 4-oxo-4-[2-(4-propylphenyl)ethylamino]butanoic acid is sourced from PubChem (CID 115163721), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).