2-[[2-(2,4-dimethylphenoxy)acetyl]amino]pentanoic acid

C15H21NO4 — CID 43630685

IUPAC2-[[2-(2,4-dimethylphenoxy)acetyl]amino]pentanoic acid
SMILESCCCC(NC(=O)COc1ccc(C)cc1C)C(=O)O
InChIInChI=1S/C15H21NO4/c1-4-5-12(15(18)19)16-14(17)9-20-13-7-6-10(2)8-11(13)3/h6-8,12H,4-5,9H2,1-3H3,(H,16,17)(H,18,19)
InChIKeyRUQFDWQUOGJPLN-UHFFFAOYSA-N
MW279.34 g/mol
LogP2.05
Rot. Bonds7

About 2-[[2-(2,4-dimethylphenoxy)acetyl]amino]pentanoic acid

2-[[2-(2,4-dimethylphenoxy)acetyl]amino]pentanoic acid (PubChem CID 43630685) has the molecular formula C15H21NO4 and a molecular weight of 279.34 g/mol. Its IUPAC name is 2-[[2-(2,4-dimethylphenoxy)acetyl]amino]pentanoic acid.

Molecular Properties

Compound Name2-[[2-(2,4-dimethylphenoxy)acetyl]amino]pentanoic acid
PubChem CID43630685
Molecular FormulaC15H21NO4
Molecular Weight279.34 g/mol
Exact Mass279.15
IUPAC Name2-[[2-(2,4-dimethylphenoxy)acetyl]amino]pentanoic acid
SMILESCCCC(NC(=O)COc1ccc(C)cc1C)C(=O)O
InChIInChI=1S/C15H21NO4/c1-4-5-12(15(18)19)16-14(17)9-20-13-7-6-10(2)8-11(13)3/h6-8,12H,4-5,9H2,1-3H3,(H,16,17)(H,18,19)
InChIKeyRUQFDWQUOGJPLN-UHFFFAOYSA-N
XLogP2.05
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 ≤ 52.05
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

2-[[2-(2,4-dimethylphenoxy)acetyl]amino]-3-hydroxypropanoic acid
CID 43357584
2-(2,4-dimethylphenoxy)-N-ethylacetamide
CID 965411
(2R)-2-[[2-(2-ethoxyphenoxy)acetyl]amino]pentanoic acid
CID 107563000
(2R)-2-[[2-(3,5-dimethylphenoxy)acetyl]amino]pentanoic acid
CID 107563565
2-(2,4-dimethylphenoxy)-N-(1-phenylpropyl)acetamide
CID 17328158
(2R)-2-[[2-(4-chloro-2-methylphenoxy)acetyl]amino]-4-hydroxybutanoic acid
CID 107822760
2-[[2-(2-chlorophenoxy)acetyl]amino]pentanoic acid
CID 43630726
2-[[2-(2,5-dimethylphenoxy)acetyl]amino]-4-methylsulfanylbutanoic acid
CID 16642117
(2R)-2-[[2-(2-bromo-4-fluorophenoxy)acetyl]amino]pentanoic acid
CID 107562867
2-(2,4-dimethylphenoxy)-N-methylacetamide
CID 965410
(2S)-2-[[2-(2,5-dichlorophenoxy)acetyl]amino]pentanoic acid
CID 107564359
3-methyl-4-[2-oxo-2-(pentan-2-ylamino)ethoxy]benzoic acid
CID 107673863

Frequently Asked Questions

What is the IUPAC name of 2-[[2-(2,4-dimethylphenoxy)acetyl]amino]pentanoic acid?
The IUPAC name of 2-[[2-(2,4-dimethylphenoxy)acetyl]amino]pentanoic acid (CID 43630685) is 2-[[2-(2,4-dimethylphenoxy)acetyl]amino]pentanoic acid.
What is the SMILES notation for 2-[[2-(2,4-dimethylphenoxy)acetyl]amino]pentanoic acid?
The canonical SMILES for 2-[[2-(2,4-dimethylphenoxy)acetyl]amino]pentanoic acid is CCCC(NC(=O)COc1ccc(C)cc1C)C(=O)O.
What is the InChIKey of 2-[[2-(2,4-dimethylphenoxy)acetyl]amino]pentanoic acid?
The InChIKey is RUQFDWQUOGJPLN-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H21NO4/c1-4-5-12(15(18)19)16-14(17)9-20-13-7-6-10(2)8-11(13)3/h6-8,12H,4-5,9H2,1-3H3,(H,16,17)(H,18,19).
What are the key properties of 2-[[2-(2,4-dimethylphenoxy)acetyl]amino]pentanoic acid?
2-[[2-(2,4-dimethylphenoxy)acetyl]amino]pentanoic acid has a molecular weight of 279.34 g/mol, XLogP of 2.05, 7 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[2-(2,4-dimethylphenoxy)acetyl]amino]pentanoic acid is sourced from PubChem (CID 43630685), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).