4-methyl-4-[[2-(4-methylphenoxy)acetyl]amino]pentanoic acid

C15H21NO4 — CID 62041332

IUPAC4-methyl-4-[[2-(4-methylphenoxy)acetyl]amino]pentanoic acid
SMILESCc1ccc(OCC(=O)NC(C)(C)CCC(=O)O)cc1
InChIInChI=1S/C15H21NO4/c1-11-4-6-12(7-5-11)20-10-13(17)16-15(2,3)9-8-14(18)19/h4-7H,8-10H2,1-3H3,(H,16,17)(H,18,19)
InChIKeySJKZTRYSJYVGJL-UHFFFAOYSA-N
MW279.34 g/mol
LogP2.13
Rot. Bonds7

About 4-methyl-4-[[2-(4-methylphenoxy)acetyl]amino]pentanoic acid

4-methyl-4-[[2-(4-methylphenoxy)acetyl]amino]pentanoic acid (PubChem CID 62041332) has the molecular formula C15H21NO4 and a molecular weight of 279.34 g/mol. Its IUPAC name is 4-methyl-4-[[2-(4-methylphenoxy)acetyl]amino]pentanoic acid.

Molecular Properties

Compound Name4-methyl-4-[[2-(4-methylphenoxy)acetyl]amino]pentanoic acid
PubChem CID62041332
Molecular FormulaC15H21NO4
Molecular Weight279.34 g/mol
Exact Mass279.15
IUPAC Name4-methyl-4-[[2-(4-methylphenoxy)acetyl]amino]pentanoic acid
SMILESCc1ccc(OCC(=O)NC(C)(C)CCC(=O)O)cc1
InChIInChI=1S/C15H21NO4/c1-11-4-6-12(7-5-11)20-10-13(17)16-15(2,3)9-8-14(18)19/h4-7H,8-10H2,1-3H3,(H,16,17)(H,18,19)
InChIKeySJKZTRYSJYVGJL-UHFFFAOYSA-N
XLogP2.13
TPSA75.63 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500279.34
LogP ≤ 52.13
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

N-(2-methylbutan-2-yl)-2-(4-methylphenoxy)acetamide
CID 50944675
4-methyl-4-[[2-(2-phenoxyethoxy)acetyl]amino]pentanoic acid
CID 119203692
4-methyl-4-(4-phenoxybutanoylamino)pentanoic acid
CID 62041775
4-methyl-4-[[2-(4-methylanilino)-2-oxoacetyl]amino]pentanoic acid
CID 62041566
N-(4-hydroxy-2-methylbutan-2-yl)-4-(4-methylphenoxy)butanamide
CID 115968838
3-methyl-3-[4-(4-methylphenoxy)butanoylamino]butanoic acid
CID 64671666
N-tert-butyl-2-[2-[2-(4-methylphenoxy)acetyl]hydrazinyl]-2-oxoacetamide
CID 3108520
4-methyl-4-[[2-[3-(4-methylphenyl)propanoylamino]acetyl]amino]pentanoic acid
CID 119204241
3-hydroxy-3-methyl-4-[[2-(4-methylphenoxy)acetyl]amino]butanoic acid
CID 66003112
3-[[2-(3,4-dimethylphenoxy)acetyl]amino]-3-methylbutanoic acid
CID 64672867
N-(1-hydroxy-2-methylpropan-2-yl)-2-(4-methoxyphenoxy)acetamide
CID 43390489
2-(4-ethoxyphenoxy)-N-(1-hydroxy-2-methylpropan-2-yl)acetamide
CID 43390531

Frequently Asked Questions

What is the IUPAC name of 4-methyl-4-[[2-(4-methylphenoxy)acetyl]amino]pentanoic acid?
The IUPAC name of 4-methyl-4-[[2-(4-methylphenoxy)acetyl]amino]pentanoic acid (CID 62041332) is 4-methyl-4-[[2-(4-methylphenoxy)acetyl]amino]pentanoic acid.
What is the SMILES notation for 4-methyl-4-[[2-(4-methylphenoxy)acetyl]amino]pentanoic acid?
The canonical SMILES for 4-methyl-4-[[2-(4-methylphenoxy)acetyl]amino]pentanoic acid is Cc1ccc(OCC(=O)NC(C)(C)CCC(=O)O)cc1.
What is the InChIKey of 4-methyl-4-[[2-(4-methylphenoxy)acetyl]amino]pentanoic acid?
The InChIKey is SJKZTRYSJYVGJL-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H21NO4/c1-11-4-6-12(7-5-11)20-10-13(17)16-15(2,3)9-8-14(18)19/h4-7H,8-10H2,1-3H3,(H,16,17)(H,18,19).
What are the key properties of 4-methyl-4-[[2-(4-methylphenoxy)acetyl]amino]pentanoic acid?
4-methyl-4-[[2-(4-methylphenoxy)acetyl]amino]pentanoic acid has a molecular weight of 279.34 g/mol, XLogP of 2.13, 7 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-methyl-4-[[2-(4-methylphenoxy)acetyl]amino]pentanoic acid is sourced from PubChem (CID 62041332), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).