5-(4-acetamidophenyl)pentanoic acid

C13H17NO3 — CID 82255364

IUPAC5-(4-acetamidophenyl)pentanoic acid
SMILESCC(=O)Nc1ccc(CCCCC(=O)O)cc1
InChIInChI=1S/C13H17NO3/c1-10(15)14-12-8-6-11(7-9-12)4-2-3-5-13(16)17/h6-9H,2-5H2,1H3,(H,14,15)(H,16,17)
InChIKeyCUEAPLITRXGJLQ-UHFFFAOYSA-N
MW235.28 g/mol
LogP2.44
Rot. Bonds6

About 5-(4-acetamidophenyl)pentanoic acid

5-(4-acetamidophenyl)pentanoic acid (PubChem CID 82255364) has the molecular formula C13H17NO3 and a molecular weight of 235.28 g/mol. Its IUPAC name is 5-(4-acetamidophenyl)pentanoic acid.

Molecular Properties

Compound Name5-(4-acetamidophenyl)pentanoic acid
PubChem CID82255364
Molecular FormulaC13H17NO3
Molecular Weight235.28 g/mol
Exact Mass235.12
IUPAC Name5-(4-acetamidophenyl)pentanoic acid
SMILESCC(=O)Nc1ccc(CCCCC(=O)O)cc1
InChIInChI=1S/C13H17NO3/c1-10(15)14-12-8-6-11(7-9-12)4-2-3-5-13(16)17/h6-9H,2-5H2,1H3,(H,14,15)(H,16,17)
InChIKeyCUEAPLITRXGJLQ-UHFFFAOYSA-N
XLogP2.44
TPSA66.40 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500235.28
LogP ≤ 52.44
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

7-[4-[(4-acetamidophenyl)methyl]phenyl]heptanoic acid
CID 15667466
5-[4-(2,2-dimethylpropanoylamino)phenyl]pentanoic acid
CID 82260196
3-[4-(4-acetamidophenyl)butanoylamino]propanoic acid
CID 82224433
5-[4-[(N'-methylcarbamimidoyl)amino]phenyl]pentanoic acid
CID 68912100
10-(4-methylphenyl)decanoic acid
CID 54262490
N-[4-(2-hydroxyethyl)phenyl]acetamide
CID 3295905
4-[4-(butylcarbamoylamino)phenyl]butanoic acid
CID 68943734
3-[4-[(4-acetamidophenyl)sulfonylamino]phenyl]propanoic acid
CID 17341594
15-phenylpentadecanoic acid
CID 2737151
N-(4-heptylphenyl)heptanamide
CID 101077737
N-[4-[3-(methoxyamino)propyl]phenyl]acetamide
CID 86619588
3-[4-(octanoylamino)phenyl]propanoic acid
CID 81370098

Frequently Asked Questions

What is the IUPAC name of 5-(4-acetamidophenyl)pentanoic acid?
The IUPAC name of 5-(4-acetamidophenyl)pentanoic acid (CID 82255364) is 5-(4-acetamidophenyl)pentanoic acid.
What is the SMILES notation for 5-(4-acetamidophenyl)pentanoic acid?
The canonical SMILES for 5-(4-acetamidophenyl)pentanoic acid is CC(=O)Nc1ccc(CCCCC(=O)O)cc1.
What is the InChIKey of 5-(4-acetamidophenyl)pentanoic acid?
The InChIKey is CUEAPLITRXGJLQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H17NO3/c1-10(15)14-12-8-6-11(7-9-12)4-2-3-5-13(16)17/h6-9H,2-5H2,1H3,(H,14,15)(H,16,17).
What are the key properties of 5-(4-acetamidophenyl)pentanoic acid?
5-(4-acetamidophenyl)pentanoic acid has a molecular weight of 235.28 g/mol, XLogP of 2.44, 6 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(4-acetamidophenyl)pentanoic acid is sourced from PubChem (CID 82255364), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).