2-[1-[[[2-(3-chlorophenoxy)acetyl]amino]methyl]cyclobutyl]acetic acid

C15H18ClNO4 — CID 81163585

IUPAC2-[1-[[[2-(3-chlorophenoxy)acetyl]amino]methyl]cyclobutyl]acetic acid
SMILESO=C(O)CC1(CNC(=O)COc2cccc(Cl)c2)CCC1
InChIInChI=1S/C15H18ClNO4/c16-11-3-1-4-12(7-11)21-9-13(18)17-10-15(5-2-6-15)8-14(19)20/h1,3-4,7H,2,5-6,8-10H2,(H,17,18)(H,19,20)
InChIKeyRQELVKASEWNXDH-UHFFFAOYSA-N
MW311.76 g/mol
LogP2.48
Rot. Bonds7

About 2-[1-[[[2-(3-chlorophenoxy)acetyl]amino]methyl]cyclobutyl]acetic acid

2-[1-[[[2-(3-chlorophenoxy)acetyl]amino]methyl]cyclobutyl]acetic acid (PubChem CID 81163585) has the molecular formula C15H18ClNO4 and a molecular weight of 311.76 g/mol. Its IUPAC name is 2-[1-[[[2-(3-chlorophenoxy)acetyl]amino]methyl]cyclobutyl]acetic acid.

Molecular Properties

Compound Name2-[1-[[[2-(3-chlorophenoxy)acetyl]amino]methyl]cyclobutyl]acetic acid
PubChem CID81163585
Molecular FormulaC15H18ClNO4
Molecular Weight311.76 g/mol
Exact Mass311.09
IUPAC Name2-[1-[[[2-(3-chlorophenoxy)acetyl]amino]methyl]cyclobutyl]acetic acid
SMILESO=C(O)CC1(CNC(=O)COc2cccc(Cl)c2)CCC1
InChIInChI=1S/C15H18ClNO4/c16-11-3-1-4-12(7-11)21-9-13(18)17-10-15(5-2-6-15)8-14(19)20/h1,3-4,7H,2,5-6,8-10H2,(H,17,18)(H,19,20)
InChIKeyRQELVKASEWNXDH-UHFFFAOYSA-N
XLogP2.48
TPSA75.63 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500311.76
LogP ≤ 52.48
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

2-(3-chlorophenoxy)-N-[[1-(hydroxymethyl)cyclopentyl]methyl]acetamide
CID 115362360
2-[1-[[[2-(2-hydroxyphenoxy)acetyl]amino]methyl]cyclobutyl]acetic acid
CID 81164815
2-(3-chlorophenoxy)-N-[(1-morpholin-4-ylcyclohexyl)methyl]acetamide;hydrochloride
CID 20994956
2-(3-chlorophenoxy)-N-propylacetamide
CID 47001598
2-(3-chlorophenoxy)-N-[(3-chlorophenyl)methyl]acetamide
CID 2632938
2-[1-[[(3-chlorophenyl)sulfonylamino]methyl]cyclobutyl]acetic acid
CID 81163930
4-[[2-(3-chlorophenoxy)acetyl]amino]-3-hydroxy-3-methylbutanoic acid
CID 66003114
2-[1-[[[2-[(5-methyl-1,2-oxazol-3-yl)oxy]acetyl]amino]methyl]cyclobutyl]acetic acid
CID 81164343
N-butyl-2-(3-chlorophenoxy)acetamide
CID 19168596
2-(3-aminophenoxy)-N-[(1-hydroxycyclopentyl)methyl]acetamide
CID 65103467
2-[1-[[3-(3-aminophenyl)propanoylamino]methyl]cyclobutyl]acetic acid
CID 115341623
1-[[[2-(3-methoxyphenoxy)acetyl]amino]methyl]cyclohexane-1-carboxylic acid
CID 120544351

Frequently Asked Questions

What is the IUPAC name of 2-[1-[[[2-(3-chlorophenoxy)acetyl]amino]methyl]cyclobutyl]acetic acid?
The IUPAC name of 2-[1-[[[2-(3-chlorophenoxy)acetyl]amino]methyl]cyclobutyl]acetic acid (CID 81163585) is 2-[1-[[[2-(3-chlorophenoxy)acetyl]amino]methyl]cyclobutyl]acetic acid.
What is the SMILES notation for 2-[1-[[[2-(3-chlorophenoxy)acetyl]amino]methyl]cyclobutyl]acetic acid?
The canonical SMILES for 2-[1-[[[2-(3-chlorophenoxy)acetyl]amino]methyl]cyclobutyl]acetic acid is O=C(O)CC1(CNC(=O)COc2cccc(Cl)c2)CCC1.
What is the InChIKey of 2-[1-[[[2-(3-chlorophenoxy)acetyl]amino]methyl]cyclobutyl]acetic acid?
The InChIKey is RQELVKASEWNXDH-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H18ClNO4/c16-11-3-1-4-12(7-11)21-9-13(18)17-10-15(5-2-6-15)8-14(19)20/h1,3-4,7H,2,5-6,8-10H2,(H,17,18)(H,19,20).
What are the key properties of 2-[1-[[[2-(3-chlorophenoxy)acetyl]amino]methyl]cyclobutyl]acetic acid?
2-[1-[[[2-(3-chlorophenoxy)acetyl]amino]methyl]cyclobutyl]acetic acid has a molecular weight of 311.76 g/mol, XLogP of 2.48, 7 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[1-[[[2-(3-chlorophenoxy)acetyl]amino]methyl]cyclobutyl]acetic acid is sourced from PubChem (CID 81163585), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).