5-[(4-acetylbenzoyl)amino]pentanoic acid

C14H17NO4 — CID 119234275

IUPAC5-[(4-acetylbenzoyl)amino]pentanoic acid
SMILESCC(=O)c1ccc(C(=O)NCCCCC(=O)O)cc1
InChIInChI=1S/C14H17NO4/c1-10(16)11-5-7-12(8-6-11)14(19)15-9-3-2-4-13(17)18/h5-8H,2-4,9H2,1H3,(H,15,19)(H,17,18)
InChIKeyKTAHPNAGEYLLNY-UHFFFAOYSA-N
MW263.29 g/mol
LogP1.87
Rot. Bonds7

About 5-[(4-acetylbenzoyl)amino]pentanoic acid

5-[(4-acetylbenzoyl)amino]pentanoic acid (PubChem CID 119234275) has the molecular formula C14H17NO4 and a molecular weight of 263.29 g/mol. Its IUPAC name is 5-[(4-acetylbenzoyl)amino]pentanoic acid.

Molecular Properties

Compound Name5-[(4-acetylbenzoyl)amino]pentanoic acid
PubChem CID119234275
Molecular FormulaC14H17NO4
Molecular Weight263.29 g/mol
Exact Mass263.12
IUPAC Name5-[(4-acetylbenzoyl)amino]pentanoic acid
SMILESCC(=O)c1ccc(C(=O)NCCCCC(=O)O)cc1
InChIInChI=1S/C14H17NO4/c1-10(16)11-5-7-12(8-6-11)14(19)15-9-3-2-4-13(17)18/h5-8H,2-4,9H2,1H3,(H,15,19)(H,17,18)
InChIKeyKTAHPNAGEYLLNY-UHFFFAOYSA-N
XLogP1.87
TPSA83.47 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500263.29
LogP ≤ 51.87
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

4-acetyl-N-(6-oxoheptyl)benzamide
CID 59029593
7-[(4-methylbenzoyl)amino]heptanoic acid
CID 24695278
5-[(4-ethylbenzoyl)amino]pentanoic acid
CID 62034291
7-[(4-hydroxybenzoyl)amino]heptanoic acid
CID 24691793
5-[[4-(methylsulfanylmethyl)benzoyl]amino]pentanoic acid
CID 62033572
3-[(4-acetylbenzoyl)amino]propylcarbamic acid
CID 130234189
7-[[4-(dimethylcarbamoyl)benzoyl]amino]heptanoic acid
CID 119350798
methyl 7-[(4-acetylbenzoyl)amino]heptanoate
CID 163207825
7-[(4-carbamoylbenzoyl)amino]heptanoic acid
CID 43358997
4-acetyl-N-[6-(methylamino)hexyl]benzamide
CID 54472432
4-(3-carboxypropylcarbamoyl)benzoic acid
CID 119112063
5-[[4-(methylsulfamoyl)benzoyl]amino]pentanoic acid
CID 119234298

Frequently Asked Questions

What is the IUPAC name of 5-[(4-acetylbenzoyl)amino]pentanoic acid?
The IUPAC name of 5-[(4-acetylbenzoyl)amino]pentanoic acid (CID 119234275) is 5-[(4-acetylbenzoyl)amino]pentanoic acid.
What is the SMILES notation for 5-[(4-acetylbenzoyl)amino]pentanoic acid?
The canonical SMILES for 5-[(4-acetylbenzoyl)amino]pentanoic acid is CC(=O)c1ccc(C(=O)NCCCCC(=O)O)cc1.
What is the InChIKey of 5-[(4-acetylbenzoyl)amino]pentanoic acid?
The InChIKey is KTAHPNAGEYLLNY-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H17NO4/c1-10(16)11-5-7-12(8-6-11)14(19)15-9-3-2-4-13(17)18/h5-8H,2-4,9H2,1H3,(H,15,19)(H,17,18).
What are the key properties of 5-[(4-acetylbenzoyl)amino]pentanoic acid?
5-[(4-acetylbenzoyl)amino]pentanoic acid has a molecular weight of 263.29 g/mol, XLogP of 1.87, 7 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[(4-acetylbenzoyl)amino]pentanoic acid is sourced from PubChem (CID 119234275), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).