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

C14H19NO4 — CID 119234134

IUPAC5-[(4-methoxy-2-methylbenzoyl)amino]pentanoic acid
SMILESCOc1ccc(C(=O)NCCCCC(=O)O)c(C)c1
InChIInChI=1S/C14H19NO4/c1-10-9-11(19-2)6-7-12(10)14(18)15-8-4-3-5-13(16)17/h6-7,9H,3-5,8H2,1-2H3,(H,15,18)(H,16,17)
InChIKeyJKURPUUYUGOSSN-UHFFFAOYSA-N
MW265.31 g/mol
LogP1.99
Rot. Bonds7

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

5-[(4-methoxy-2-methylbenzoyl)amino]pentanoic acid (PubChem CID 119234134) has the molecular formula C14H19NO4 and a molecular weight of 265.31 g/mol. Its IUPAC name is 5-[(4-methoxy-2-methylbenzoyl)amino]pentanoic acid.

Molecular Properties

Compound Name5-[(4-methoxy-2-methylbenzoyl)amino]pentanoic acid
PubChem CID119234134
Molecular FormulaC14H19NO4
Molecular Weight265.31 g/mol
Exact Mass265.13
IUPAC Name5-[(4-methoxy-2-methylbenzoyl)amino]pentanoic acid
SMILESCOc1ccc(C(=O)NCCCCC(=O)O)c(C)c1
InChIInChI=1S/C14H19NO4/c1-10-9-11(19-2)6-7-12(10)14(18)15-8-4-3-5-13(16)17/h6-7,9H,3-5,8H2,1-2H3,(H,15,18)(H,16,17)
InChIKeyJKURPUUYUGOSSN-UHFFFAOYSA-N
XLogP1.99
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 ≤ 51.99
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-[(2-amino-4-methoxybenzoyl)amino]butanoic acid
CID 80504243
4-[4-[[(4-methoxy-2-methylbenzoyl)amino]methyl]phenoxy]butanoic acid
CID 119247006
N-(2-aminoethyl)-4-methoxy-2-methylbenzamide;hydrochloride
CID 119384390
7-[(3-methoxy-4-methylbenzoyl)amino]heptanoic acid
CID 24701058
4-[(4,5-dimethoxy-2-methylbenzoyl)amino]butanoic acid
CID 98023407
3-[(2-bromo-5-methoxybenzoyl)amino]propanoic acid
CID 24706938
2-amino-N-(5-amino-5-oxopentyl)-4-methoxybenzamide
CID 106235860
N-[8-[(2,4-dimethoxybenzoyl)amino]octyl]-2,4-dimethoxybenzamide
CID 3517424
N-[6-[(2,4-dimethoxybenzoyl)amino]hexyl]-2,4-dimethoxybenzamide
CID 4051354
12-[(2-methylbenzoyl)amino]dodecanoic acid
CID 10759093
7-[(2-methoxy-6-methylpyridine-3-carbonyl)amino]heptanoic acid
CID 120523997
5-[(5-bromo-2-methylbenzoyl)amino]pentanoic acid
CID 65308128

Frequently Asked Questions

What is the IUPAC name of 5-[(4-methoxy-2-methylbenzoyl)amino]pentanoic acid?
The IUPAC name of 5-[(4-methoxy-2-methylbenzoyl)amino]pentanoic acid (CID 119234134) is 5-[(4-methoxy-2-methylbenzoyl)amino]pentanoic acid.
What is the SMILES notation for 5-[(4-methoxy-2-methylbenzoyl)amino]pentanoic acid?
The canonical SMILES for 5-[(4-methoxy-2-methylbenzoyl)amino]pentanoic acid is COc1ccc(C(=O)NCCCCC(=O)O)c(C)c1.
What is the InChIKey of 5-[(4-methoxy-2-methylbenzoyl)amino]pentanoic acid?
The InChIKey is JKURPUUYUGOSSN-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H19NO4/c1-10-9-11(19-2)6-7-12(10)14(18)15-8-4-3-5-13(16)17/h6-7,9H,3-5,8H2,1-2H3,(H,15,18)(H,16,17).
What are the key properties of 5-[(4-methoxy-2-methylbenzoyl)amino]pentanoic acid?
5-[(4-methoxy-2-methylbenzoyl)amino]pentanoic acid has a molecular weight of 265.31 g/mol, XLogP of 1.99, 7 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[(4-methoxy-2-methylbenzoyl)amino]pentanoic acid is sourced from PubChem (CID 119234134), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).