2-[[[2-(3,4-dimethylphenoxy)acetyl]amino]methyl]pentanoic acid

C16H23NO4 — CID 65219294

IUPAC2-[[[2-(3,4-dimethylphenoxy)acetyl]amino]methyl]pentanoic acid
SMILESCCCC(CNC(=O)COc1ccc(C)c(C)c1)C(=O)O
InChIInChI=1S/C16H23NO4/c1-4-5-13(16(19)20)9-17-15(18)10-21-14-7-6-11(2)12(3)8-14/h6-8,13H,4-5,9-10H2,1-3H3,(H,17,18)(H,19,20)
InChIKeyVAYSQNOORKEMQB-UHFFFAOYSA-N
MW293.36 g/mol
LogP2.30
Rot. Bonds8

About 2-[[[2-(3,4-dimethylphenoxy)acetyl]amino]methyl]pentanoic acid

2-[[[2-(3,4-dimethylphenoxy)acetyl]amino]methyl]pentanoic acid (PubChem CID 65219294) has the molecular formula C16H23NO4 and a molecular weight of 293.36 g/mol. Its IUPAC name is 2-[[[2-(3,4-dimethylphenoxy)acetyl]amino]methyl]pentanoic acid.

Molecular Properties

Compound Name2-[[[2-(3,4-dimethylphenoxy)acetyl]amino]methyl]pentanoic acid
PubChem CID65219294
Molecular FormulaC16H23NO4
Molecular Weight293.36 g/mol
Exact Mass293.16
IUPAC Name2-[[[2-(3,4-dimethylphenoxy)acetyl]amino]methyl]pentanoic acid
SMILESCCCC(CNC(=O)COc1ccc(C)c(C)c1)C(=O)O
InChIInChI=1S/C16H23NO4/c1-4-5-13(16(19)20)9-17-15(18)10-21-14-7-6-11(2)12(3)8-14/h6-8,13H,4-5,9-10H2,1-3H3,(H,17,18)(H,19,20)
InChIKeyVAYSQNOORKEMQB-UHFFFAOYSA-N
XLogP2.30
TPSA75.63 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500293.36
LogP ≤ 52.30
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

2-[[[2-(3-fluorophenoxy)acetyl]amino]methyl]pentanoic acid
CID 65223456
2-(3,4-dimethylphenoxy)-N-(3-methylbutyl)acetamide
CID 21368057
5-[[2-(3,4-dimethylphenoxy)acetyl]amino]-2-methylpentanoic acid
CID 104682442
2-(3,4-dimethylphenoxy)-N-[8-[[2-(3,4-dimethylphenoxy)acetyl]amino]octyl]acetamide
CID 17233359
2-[[3-(4-methylphenoxy)propanoylamino]methyl]pentanoic acid
CID 65223505
N-[2-(dimethylamino)ethyl]-2-(3,4-dimethylphenoxy)acetamide
CID 19165327
2-[[[2-(2,3-dihydro-1H-inden-5-yloxy)acetyl]amino]methyl]butanoic acid
CID 65217775
(2S)-4-[[2-(4-chloro-3-fluorophenoxy)acetyl]amino]-2-[[[2-(4-chloro-3-fluorophenoxy)acetyl]amino]methyl]butanoic acid
CID 138632179
methyl N-[2-[[2-(3,4-dimethylphenoxy)acetyl]amino]ethyl]carbamate
CID 108572647
2-[[2-(3,4-dimethylphenoxy)acetyl]amino]-N-methylacetamide
CID 17404287
2-methyl-4-[2-oxo-2-(propylamino)ethoxy]benzoic acid
CID 107671260
phenyl N-[2-[[2-(3,4-dimethylphenoxy)acetyl]amino]ethyl]carbamate
CID 108572636

Frequently Asked Questions

What is the IUPAC name of 2-[[[2-(3,4-dimethylphenoxy)acetyl]amino]methyl]pentanoic acid?
The IUPAC name of 2-[[[2-(3,4-dimethylphenoxy)acetyl]amino]methyl]pentanoic acid (CID 65219294) is 2-[[[2-(3,4-dimethylphenoxy)acetyl]amino]methyl]pentanoic acid.
What is the SMILES notation for 2-[[[2-(3,4-dimethylphenoxy)acetyl]amino]methyl]pentanoic acid?
The canonical SMILES for 2-[[[2-(3,4-dimethylphenoxy)acetyl]amino]methyl]pentanoic acid is CCCC(CNC(=O)COc1ccc(C)c(C)c1)C(=O)O.
What is the InChIKey of 2-[[[2-(3,4-dimethylphenoxy)acetyl]amino]methyl]pentanoic acid?
The InChIKey is VAYSQNOORKEMQB-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H23NO4/c1-4-5-13(16(19)20)9-17-15(18)10-21-14-7-6-11(2)12(3)8-14/h6-8,13H,4-5,9-10H2,1-3H3,(H,17,18)(H,19,20).
What are the key properties of 2-[[[2-(3,4-dimethylphenoxy)acetyl]amino]methyl]pentanoic acid?
2-[[[2-(3,4-dimethylphenoxy)acetyl]amino]methyl]pentanoic acid has a molecular weight of 293.36 g/mol, XLogP of 2.30, 8 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[[2-(3,4-dimethylphenoxy)acetyl]amino]methyl]pentanoic acid is sourced from PubChem (CID 65219294), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).