5-methoxy-2-[(4-methylbenzoyl)amino]pentanoic acid

C14H19NO4 — CID 81077151

IUPAC5-methoxy-2-[(4-methylbenzoyl)amino]pentanoic acid
SMILESCOCCCC(NC(=O)c1ccc(C)cc1)C(=O)O
InChIInChI=1S/C14H19NO4/c1-10-5-7-11(8-6-10)13(16)15-12(14(17)18)4-3-9-19-2/h5-8,12H,3-4,9H2,1-2H3,(H,15,16)(H,17,18)
InChIKeyGBPGVOMWFGRIKG-UHFFFAOYSA-N
MW265.31 g/mol
LogP1.60
Rot. Bonds7

About 5-methoxy-2-[(4-methylbenzoyl)amino]pentanoic acid

5-methoxy-2-[(4-methylbenzoyl)amino]pentanoic acid (PubChem CID 81077151) has the molecular formula C14H19NO4 and a molecular weight of 265.31 g/mol. Its IUPAC name is 5-methoxy-2-[(4-methylbenzoyl)amino]pentanoic acid.

Molecular Properties

Compound Name5-methoxy-2-[(4-methylbenzoyl)amino]pentanoic acid
PubChem CID81077151
Molecular FormulaC14H19NO4
Molecular Weight265.31 g/mol
Exact Mass265.13
IUPAC Name5-methoxy-2-[(4-methylbenzoyl)amino]pentanoic acid
SMILESCOCCCC(NC(=O)c1ccc(C)cc1)C(=O)O
InChIInChI=1S/C14H19NO4/c1-10-5-7-11(8-6-10)13(16)15-12(14(17)18)4-3-9-19-2/h5-8,12H,3-4,9H2,1-2H3,(H,15,16)(H,17,18)
InChIKeyGBPGVOMWFGRIKG-UHFFFAOYSA-N
XLogP1.60
TPSA75.63 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500265.31
LogP ≤ 51.60
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

Analyze 5-methoxy-2-[(4-methylbenzoyl)amino]pentanoic 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

5-methoxy-2-[(4-methoxybenzoyl)amino]pentanoic acid
CID 81077484
5-methoxy-2-[(4-propan-2-ylbenzoyl)amino]pentanoic acid
CID 81085643
2-[(4-ethylbenzoyl)amino]-5-methoxypentanoic acid
CID 81077077
2-[(3,5-dimethylbenzoyl)amino]-5-methoxypentanoic acid
CID 81076564
2-[(3,4-dimethylbenzoyl)amino]-5-methoxypentanoic acid
CID 81077142
(2S)-5-amino-2-[(4-methylbenzoyl)amino]pentanoic acid
CID 22838808
2-[(3-hydroxy-4-methylbenzoyl)amino]-5-methoxypentanoic acid
CID 81076917
5-methoxy-2-[(4-nitrobenzoyl)amino]pentanoic acid
CID 81085680
2-[[4-(2-aminoethyl)benzoyl]amino]-5-methoxypentanoic acid
CID 81084211
4-hydroxy-2-[(4-methylbenzoyl)amino]butanoic acid
CID 61243079
2-[(4-fluoro-3-methylbenzoyl)amino]-5-methoxypentanoic acid
CID 81076583
2-[(2,5-dimethylbenzoyl)amino]-5-methoxypentanoic acid
CID 81076484

Frequently Asked Questions

What is the IUPAC name of 5-methoxy-2-[(4-methylbenzoyl)amino]pentanoic acid?
The IUPAC name of 5-methoxy-2-[(4-methylbenzoyl)amino]pentanoic acid (CID 81077151) is 5-methoxy-2-[(4-methylbenzoyl)amino]pentanoic acid.
What is the SMILES notation for 5-methoxy-2-[(4-methylbenzoyl)amino]pentanoic acid?
The canonical SMILES for 5-methoxy-2-[(4-methylbenzoyl)amino]pentanoic acid is COCCCC(NC(=O)c1ccc(C)cc1)C(=O)O.
What is the InChIKey of 5-methoxy-2-[(4-methylbenzoyl)amino]pentanoic acid?
The InChIKey is GBPGVOMWFGRIKG-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H19NO4/c1-10-5-7-11(8-6-10)13(16)15-12(14(17)18)4-3-9-19-2/h5-8,12H,3-4,9H2,1-2H3,(H,15,16)(H,17,18).
What are the key properties of 5-methoxy-2-[(4-methylbenzoyl)amino]pentanoic acid?
5-methoxy-2-[(4-methylbenzoyl)amino]pentanoic acid has a molecular weight of 265.31 g/mol, XLogP of 1.60, 7 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-methoxy-2-[(4-methylbenzoyl)amino]pentanoic acid is sourced from PubChem (CID 81077151), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).