5-[[2-(2,3-dimethylphenoxy)acetyl]amino]hexanoic acid

C16H23NO4 — CID 82845745

IUPAC5-[[2-(2,3-dimethylphenoxy)acetyl]amino]hexanoic acid
SMILESCc1cccc(OCC(=O)NC(C)CCCC(=O)O)c1C
InChIInChI=1S/C16H23NO4/c1-11-6-4-8-14(13(11)3)21-10-15(18)17-12(2)7-5-9-16(19)20/h4,6,8,12H,5,7,9-10H2,1-3H3,(H,17,18)(H,19,20)
InChIKeyKOWVWWIOWRQKGF-UHFFFAOYSA-N
MW293.36 g/mol
LogP2.44
Rot. Bonds8

About 5-[[2-(2,3-dimethylphenoxy)acetyl]amino]hexanoic acid

5-[[2-(2,3-dimethylphenoxy)acetyl]amino]hexanoic acid (PubChem CID 82845745) has the molecular formula C16H23NO4 and a molecular weight of 293.36 g/mol. Its IUPAC name is 5-[[2-(2,3-dimethylphenoxy)acetyl]amino]hexanoic acid.

Molecular Properties

Compound Name5-[[2-(2,3-dimethylphenoxy)acetyl]amino]hexanoic acid
PubChem CID82845745
Molecular FormulaC16H23NO4
Molecular Weight293.36 g/mol
Exact Mass293.16
IUPAC Name5-[[2-(2,3-dimethylphenoxy)acetyl]amino]hexanoic acid
SMILESCc1cccc(OCC(=O)NC(C)CCCC(=O)O)c1C
InChIInChI=1S/C16H23NO4/c1-11-6-4-8-14(13(11)3)21-10-15(18)17-12(2)7-5-9-16(19)20/h4,6,8,12H,5,7,9-10H2,1-3H3,(H,17,18)(H,19,20)
InChIKeyKOWVWWIOWRQKGF-UHFFFAOYSA-N
XLogP2.44
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 ≤ 52.44
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

2-(2,3-dimethylphenoxy)-N-pentan-2-ylacetamide
CID 50945244
N-[(2R)-butan-2-yl]-2-(2,3-dimethylphenoxy)acetamide
CID 728123
(2S)-2-[[2-(2,3-dimethylphenoxy)acetyl]amino]propanoic acid
CID 9156872
2-(2,3-dimethylphenoxy)-N-[1-(2-methylphenoxy)propan-2-yl]acetamide
CID 132651176
2-(2,3-dimethylphenoxy)-N-(1-phenylethyl)acetamide
CID 19172570
(2S,3R)-2-[[2-(2,3-dimethylphenoxy)acetyl]amino]-3-hydroxybutanoic acid
CID 104964954
(2S)-2-[[2-(2,3-dimethylphenoxy)acetyl]amino]propanoate
CID 9156871
2-[[2-(2,3-dimethylphenoxy)acetyl]amino]-3-hydroxypropanoic acid
CID 43357623
2-(2,3-dimethylphenoxy)-N-[1-(4-methylphenyl)ethyl]acetamide
CID 132650068
2-[[2-(2,3-dimethylphenoxy)acetyl]amino]-N-propan-2-ylacetamide
CID 9300913
2-(2,3-dimethylphenoxy)-N-(1-hydroxy-4,4-dimethylpentan-3-yl)acetamide
CID 106352989
2-(2,3-dimethylphenoxy)-N-[1-(4-ethylphenyl)ethyl]acetamide
CID 17326921

Frequently Asked Questions

What is the IUPAC name of 5-[[2-(2,3-dimethylphenoxy)acetyl]amino]hexanoic acid?
The IUPAC name of 5-[[2-(2,3-dimethylphenoxy)acetyl]amino]hexanoic acid (CID 82845745) is 5-[[2-(2,3-dimethylphenoxy)acetyl]amino]hexanoic acid.
What is the SMILES notation for 5-[[2-(2,3-dimethylphenoxy)acetyl]amino]hexanoic acid?
The canonical SMILES for 5-[[2-(2,3-dimethylphenoxy)acetyl]amino]hexanoic acid is Cc1cccc(OCC(=O)NC(C)CCCC(=O)O)c1C.
What is the InChIKey of 5-[[2-(2,3-dimethylphenoxy)acetyl]amino]hexanoic acid?
The InChIKey is KOWVWWIOWRQKGF-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H23NO4/c1-11-6-4-8-14(13(11)3)21-10-15(18)17-12(2)7-5-9-16(19)20/h4,6,8,12H,5,7,9-10H2,1-3H3,(H,17,18)(H,19,20).
What are the key properties of 5-[[2-(2,3-dimethylphenoxy)acetyl]amino]hexanoic acid?
5-[[2-(2,3-dimethylphenoxy)acetyl]amino]hexanoic acid has a molecular weight of 293.36 g/mol, XLogP of 2.44, 8 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[[2-(2,3-dimethylphenoxy)acetyl]amino]hexanoic acid is sourced from PubChem (CID 82845745), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).