5-[(2,5-dimethylbenzoyl)amino]-4-methylpentanoic acid

C15H21NO3 — CID 82009424

IUPAC5-[(2,5-dimethylbenzoyl)amino]-4-methylpentanoic acid
SMILESCc1ccc(C)c(C(=O)NCC(C)CCC(=O)O)c1
InChIInChI=1S/C15H21NO3/c1-10-4-6-12(3)13(8-10)15(19)16-9-11(2)5-7-14(17)18/h4,6,8,11H,5,7,9H2,1-3H3,(H,16,19)(H,17,18)
InChIKeySFQSKBBSOUPSCJ-UHFFFAOYSA-N
MW263.34 g/mol
LogP2.53
Rot. Bonds6

About 5-[(2,5-dimethylbenzoyl)amino]-4-methylpentanoic acid

5-[(2,5-dimethylbenzoyl)amino]-4-methylpentanoic acid (PubChem CID 82009424) has the molecular formula C15H21NO3 and a molecular weight of 263.34 g/mol. Its IUPAC name is 5-[(2,5-dimethylbenzoyl)amino]-4-methylpentanoic acid.

Molecular Properties

Compound Name5-[(2,5-dimethylbenzoyl)amino]-4-methylpentanoic acid
PubChem CID82009424
Molecular FormulaC15H21NO3
Molecular Weight263.34 g/mol
Exact Mass263.15
IUPAC Name5-[(2,5-dimethylbenzoyl)amino]-4-methylpentanoic acid
SMILESCc1ccc(C)c(C(=O)NCC(C)CCC(=O)O)c1
InChIInChI=1S/C15H21NO3/c1-10-4-6-12(3)13(8-10)15(19)16-9-11(2)5-7-14(17)18/h4,6,8,11H,5,7,9H2,1-3H3,(H,16,19)(H,17,18)
InChIKeySFQSKBBSOUPSCJ-UHFFFAOYSA-N
XLogP2.53
TPSA66.40 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500263.34
LogP ≤ 52.53
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

5-[(2-fluoro-3-methylbenzoyl)amino]-4-methylpentanoic acid
CID 82682663
5-[(5-chloro-2-fluorobenzoyl)amino]-4-methylpentanoic acid
CID 82009047
N-(2-hydroxy-2-phenylethyl)-2,5-dimethylbenzamide
CID 43391272
5-[(3-hydroxy-2-methylbenzoyl)amino]-4-methylpentanoic acid
CID 82826570
4-[(5-chloro-2-methylbenzoyl)amino]-3-methylbutanoic acid
CID 82883425
4-methyl-5-[(6-methyl-2-oxo-1H-pyridine-3-carbonyl)amino]pentanoic acid
CID 104772766
5-bromo-N-(4-bromo-2-methylbutyl)-2-methylbenzamide
CID 114316915
4-[(2-bromo-5-methylbenzoyl)amino]-3-methylbutanoic acid
CID 81110667
4-[[4-(2,5-dimethylphenyl)-4-oxobutanoyl]amino]pentanoic acid
CID 120689364
N-[2-(4-fluorophenyl)propyl]-2,5-dimethylbenzamide
CID 110279740
2-(2,5-dimethylbenzoyl)-N-(2-hydroxypropyl)benzamide
CID 110886651
N-[2-(2-hydroxyethyl)pentyl]-2,5-dimethylbenzamide
CID 103725617

Frequently Asked Questions

What is the IUPAC name of 5-[(2,5-dimethylbenzoyl)amino]-4-methylpentanoic acid?
The IUPAC name of 5-[(2,5-dimethylbenzoyl)amino]-4-methylpentanoic acid (CID 82009424) is 5-[(2,5-dimethylbenzoyl)amino]-4-methylpentanoic acid.
What is the SMILES notation for 5-[(2,5-dimethylbenzoyl)amino]-4-methylpentanoic acid?
The canonical SMILES for 5-[(2,5-dimethylbenzoyl)amino]-4-methylpentanoic acid is Cc1ccc(C)c(C(=O)NCC(C)CCC(=O)O)c1.
What is the InChIKey of 5-[(2,5-dimethylbenzoyl)amino]-4-methylpentanoic acid?
The InChIKey is SFQSKBBSOUPSCJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H21NO3/c1-10-4-6-12(3)13(8-10)15(19)16-9-11(2)5-7-14(17)18/h4,6,8,11H,5,7,9H2,1-3H3,(H,16,19)(H,17,18).
What are the key properties of 5-[(2,5-dimethylbenzoyl)amino]-4-methylpentanoic acid?
5-[(2,5-dimethylbenzoyl)amino]-4-methylpentanoic acid has a molecular weight of 263.34 g/mol, XLogP of 2.53, 6 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[(2,5-dimethylbenzoyl)amino]-4-methylpentanoic acid is sourced from PubChem (CID 82009424), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).