5-[[4-(dimethylamino)benzoyl]amino]pentanoic acid

C14H20N2O3 — CID 10563578

IUPAC5-[[4-(dimethylamino)benzoyl]amino]pentanoic acid
SMILESCN(C)c1ccc(C(=O)NCCCCC(=O)O)cc1
InChIInChI=1S/C14H20N2O3/c1-16(2)12-8-6-11(7-9-12)14(19)15-10-4-3-5-13(17)18/h6-9H,3-5,10H2,1-2H3,(H,15,19)(H,17,18)
InChIKeyARQBJQAYYHATBA-UHFFFAOYSA-N
MW264.32 g/mol
LogP1.74
Rot. Bonds7

About 5-[[4-(dimethylamino)benzoyl]amino]pentanoic acid

5-[[4-(dimethylamino)benzoyl]amino]pentanoic acid (PubChem CID 10563578) has the molecular formula C14H20N2O3 and a molecular weight of 264.32 g/mol. Its IUPAC name is 5-[[4-(dimethylamino)benzoyl]amino]pentanoic acid.

Molecular Properties

Compound Name5-[[4-(dimethylamino)benzoyl]amino]pentanoic acid
PubChem CID10563578
Molecular FormulaC14H20N2O3
Molecular Weight264.32 g/mol
Exact Mass264.15
IUPAC Name5-[[4-(dimethylamino)benzoyl]amino]pentanoic acid
SMILESCN(C)c1ccc(C(=O)NCCCCC(=O)O)cc1
InChIInChI=1S/C14H20N2O3/c1-16(2)12-8-6-11(7-9-12)14(19)15-10-4-3-5-13(17)18/h6-9H,3-5,10H2,1-2H3,(H,15,19)(H,17,18)
InChIKeyARQBJQAYYHATBA-UHFFFAOYSA-N
XLogP1.74
TPSA69.64 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500264.32
LogP ≤ 51.74
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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Frequently Asked Questions

What is the IUPAC name of 5-[[4-(dimethylamino)benzoyl]amino]pentanoic acid?
The IUPAC name of 5-[[4-(dimethylamino)benzoyl]amino]pentanoic acid (CID 10563578) is 5-[[4-(dimethylamino)benzoyl]amino]pentanoic acid.
What is the SMILES notation for 5-[[4-(dimethylamino)benzoyl]amino]pentanoic acid?
The canonical SMILES for 5-[[4-(dimethylamino)benzoyl]amino]pentanoic acid is CN(C)c1ccc(C(=O)NCCCCC(=O)O)cc1.
What is the InChIKey of 5-[[4-(dimethylamino)benzoyl]amino]pentanoic acid?
The InChIKey is ARQBJQAYYHATBA-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H20N2O3/c1-16(2)12-8-6-11(7-9-12)14(19)15-10-4-3-5-13(17)18/h6-9H,3-5,10H2,1-2H3,(H,15,19)(H,17,18).
What are the key properties of 5-[[4-(dimethylamino)benzoyl]amino]pentanoic acid?
5-[[4-(dimethylamino)benzoyl]amino]pentanoic acid has a molecular weight of 264.32 g/mol, XLogP of 1.74, 7 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[[4-(dimethylamino)benzoyl]amino]pentanoic acid is sourced from PubChem (CID 10563578), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).