2-[1-[[[2-(2-hydroxyphenoxy)acetyl]amino]methyl]cyclobutyl]acetic acid

C15H19NO5 — CID 81164815

IUPAC2-[1-[[[2-(2-hydroxyphenoxy)acetyl]amino]methyl]cyclobutyl]acetic acid
SMILESO=C(O)CC1(CNC(=O)COc2ccccc2O)CCC1
InChIInChI=1S/C15H19NO5/c17-11-4-1-2-5-12(11)21-9-13(18)16-10-15(6-3-7-15)8-14(19)20/h1-2,4-5,17H,3,6-10H2,(H,16,18)(H,19,20)
InChIKeyDIBIIJILCMYHMU-UHFFFAOYSA-N
MW293.32 g/mol
LogP1.53
Rot. Bonds7

About 2-[1-[[[2-(2-hydroxyphenoxy)acetyl]amino]methyl]cyclobutyl]acetic acid

2-[1-[[[2-(2-hydroxyphenoxy)acetyl]amino]methyl]cyclobutyl]acetic acid (PubChem CID 81164815) has the molecular formula C15H19NO5 and a molecular weight of 293.32 g/mol. Its IUPAC name is 2-[1-[[[2-(2-hydroxyphenoxy)acetyl]amino]methyl]cyclobutyl]acetic acid.

Molecular Properties

Compound Name2-[1-[[[2-(2-hydroxyphenoxy)acetyl]amino]methyl]cyclobutyl]acetic acid
PubChem CID81164815
Molecular FormulaC15H19NO5
Molecular Weight293.32 g/mol
Exact Mass293.13
IUPAC Name2-[1-[[[2-(2-hydroxyphenoxy)acetyl]amino]methyl]cyclobutyl]acetic acid
SMILESO=C(O)CC1(CNC(=O)COc2ccccc2O)CCC1
InChIInChI=1S/C15H19NO5/c17-11-4-1-2-5-12(11)21-9-13(18)16-10-15(6-3-7-15)8-14(19)20/h1-2,4-5,17H,3,6-10H2,(H,16,18)(H,19,20)
InChIKeyDIBIIJILCMYHMU-UHFFFAOYSA-N
XLogP1.53
TPSA95.86 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500293.32
LogP ≤ 51.53
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Related Compounds

N-[[1-(hydroxymethyl)cyclopentyl]methyl]-2-(2-hydroxyphenoxy)acetamide
CID 115362129
2-[1-[[[2-(3-chlorophenoxy)acetyl]amino]methyl]cyclobutyl]acetic acid
CID 81163585
2-(2-cyanophenoxy)-N-[[1-(hydroxymethyl)cyclopentyl]methyl]acetamide
CID 115360382
2-[1-[[[2-(4-hydroxyphenyl)acetyl]amino]methyl]cyclobutyl]acetic acid
CID 81164329
2-[1-[[3-(2-aminophenyl)propanoylamino]methyl]cyclobutyl]acetic acid
CID 107273261
1-[[2-(2-hydroxyphenoxy)acetyl]amino]cyclopropane-1-carboxylic acid
CID 65452796
2-[1-[[3-(4-aminophenyl)propanoylamino]methyl]cyclobutyl]acetic acid
CID 115341622
2-[1-[[[2-[(5-methyl-1,2-oxazol-3-yl)oxy]acetyl]amino]methyl]cyclobutyl]acetic acid
CID 81164343
2-[1-[(3-aminopropanoylamino)methyl]cyclobutyl]acetic acid
CID 81161274
2-[1-[(3-thiophen-2-ylpropanoylamino)methyl]cyclobutyl]acetic acid
CID 81164192
2-(2,4-difluorophenoxy)-N-[[1-(hydroxymethyl)cyclopentyl]methyl]acetamide
CID 115362465
2-(2-methoxyphenoxy)-N-[(1-phenylcyclopentyl)methyl]acetamide
CID 18128274

Frequently Asked Questions

What is the IUPAC name of 2-[1-[[[2-(2-hydroxyphenoxy)acetyl]amino]methyl]cyclobutyl]acetic acid?
The IUPAC name of 2-[1-[[[2-(2-hydroxyphenoxy)acetyl]amino]methyl]cyclobutyl]acetic acid (CID 81164815) is 2-[1-[[[2-(2-hydroxyphenoxy)acetyl]amino]methyl]cyclobutyl]acetic acid.
What is the SMILES notation for 2-[1-[[[2-(2-hydroxyphenoxy)acetyl]amino]methyl]cyclobutyl]acetic acid?
The canonical SMILES for 2-[1-[[[2-(2-hydroxyphenoxy)acetyl]amino]methyl]cyclobutyl]acetic acid is O=C(O)CC1(CNC(=O)COc2ccccc2O)CCC1.
What is the InChIKey of 2-[1-[[[2-(2-hydroxyphenoxy)acetyl]amino]methyl]cyclobutyl]acetic acid?
The InChIKey is DIBIIJILCMYHMU-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H19NO5/c17-11-4-1-2-5-12(11)21-9-13(18)16-10-15(6-3-7-15)8-14(19)20/h1-2,4-5,17H,3,6-10H2,(H,16,18)(H,19,20).
What are the key properties of 2-[1-[[[2-(2-hydroxyphenoxy)acetyl]amino]methyl]cyclobutyl]acetic acid?
2-[1-[[[2-(2-hydroxyphenoxy)acetyl]amino]methyl]cyclobutyl]acetic acid has a molecular weight of 293.32 g/mol, XLogP of 1.53, 7 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[1-[[[2-(2-hydroxyphenoxy)acetyl]amino]methyl]cyclobutyl]acetic acid is sourced from PubChem (CID 81164815), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).