2-[1-[[2-(4-chloro-3-methylphenoxy)acetyl]amino]cyclobutyl]acetic acid

C15H18ClNO4 — CID 79844652

IUPAC2-[1-[[2-(4-chloro-3-methylphenoxy)acetyl]amino]cyclobutyl]acetic acid
SMILESCc1cc(OCC(=O)NC2(CC(=O)O)CCC2)ccc1Cl
InChIInChI=1S/C15H18ClNO4/c1-10-7-11(3-4-12(10)16)21-9-13(18)17-15(5-2-6-15)8-14(19)20/h3-4,7H,2,5-6,8-9H2,1H3,(H,17,18)(H,19,20)
InChIKeyDIMXVGNIAAQMMC-UHFFFAOYSA-N
MW311.76 g/mol
LogP2.54
Rot. Bonds6

About 2-[1-[[2-(4-chloro-3-methylphenoxy)acetyl]amino]cyclobutyl]acetic acid

2-[1-[[2-(4-chloro-3-methylphenoxy)acetyl]amino]cyclobutyl]acetic acid (PubChem CID 79844652) has the molecular formula C15H18ClNO4 and a molecular weight of 311.76 g/mol. Its IUPAC name is 2-[1-[[2-(4-chloro-3-methylphenoxy)acetyl]amino]cyclobutyl]acetic acid.

Molecular Properties

Compound Name2-[1-[[2-(4-chloro-3-methylphenoxy)acetyl]amino]cyclobutyl]acetic acid
PubChem CID79844652
Molecular FormulaC15H18ClNO4
Molecular Weight311.76 g/mol
Exact Mass311.09
IUPAC Name2-[1-[[2-(4-chloro-3-methylphenoxy)acetyl]amino]cyclobutyl]acetic acid
SMILESCc1cc(OCC(=O)NC2(CC(=O)O)CCC2)ccc1Cl
InChIInChI=1S/C15H18ClNO4/c1-10-7-11(3-4-12(10)16)21-9-13(18)17-15(5-2-6-15)8-14(19)20/h3-4,7H,2,5-6,8-9H2,1H3,(H,17,18)(H,19,20)
InChIKeyDIMXVGNIAAQMMC-UHFFFAOYSA-N
XLogP2.54
TPSA75.63 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500311.76
LogP ≤ 52.54
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Analyze 2-[1-[[2-(4-chloro-3-methylphenoxy)acetyl]amino]cyclobutyl]acetic acid with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

2-[1-[[2-(3-chloro-4-fluorophenoxy)acetyl]amino]cyclobutyl]acetic acid
CID 119217713
1-[[2-(4-chloro-3-methylphenoxy)acetyl]amino]cyclopropane-1-carboxylic acid
CID 65450765
2-[1-[[2-(4-ethoxyphenoxy)acetyl]amino]cyclobutyl]acetic acid
CID 119217956
2-(4-chloro-3-methylphenoxy)-N'-[2-(4-chloro-3-methylphenoxy)acetyl]acetohydrazide
CID 3554706
2-[1-[[2-(3-ethylphenoxy)acetyl]amino]cyclobutyl]acetic acid
CID 79844002
2-[1-[[2-(3-bromophenoxy)acetyl]amino]cyclobutyl]acetic acid
CID 79848711
2-[1-[(2-phenoxyacetyl)amino]cyclopentyl]acetic acid
CID 64673162
N-[1-(aminomethyl)cyclopentyl]-2-(3,4-dimethylphenoxy)acetamide
CID 119565775
4-[[2-(4-chloro-3-methylphenoxy)acetyl]amino]butanoic acid
CID 43239214
2-(4-chloro-3-methylphenoxy)-N-[[1-(2-hydroxyethyl)cyclopropyl]methyl]acetamide
CID 114751110
2-(4-chloro-3-methylphenoxy)-N-[8-[[2-(4-chloro-3-methylphenoxy)acetyl]amino]octyl]acetamide
CID 17233325
N-[4-[[2-(4-chloro-3-methylphenoxy)acetyl]amino]-1-bicyclo[2.1.1]hexanyl]pyridine-2-carboxamide
CID 158400664

Frequently Asked Questions

What is the IUPAC name of 2-[1-[[2-(4-chloro-3-methylphenoxy)acetyl]amino]cyclobutyl]acetic acid?
The IUPAC name of 2-[1-[[2-(4-chloro-3-methylphenoxy)acetyl]amino]cyclobutyl]acetic acid (CID 79844652) is 2-[1-[[2-(4-chloro-3-methylphenoxy)acetyl]amino]cyclobutyl]acetic acid.
What is the SMILES notation for 2-[1-[[2-(4-chloro-3-methylphenoxy)acetyl]amino]cyclobutyl]acetic acid?
The canonical SMILES for 2-[1-[[2-(4-chloro-3-methylphenoxy)acetyl]amino]cyclobutyl]acetic acid is Cc1cc(OCC(=O)NC2(CC(=O)O)CCC2)ccc1Cl.
What is the InChIKey of 2-[1-[[2-(4-chloro-3-methylphenoxy)acetyl]amino]cyclobutyl]acetic acid?
The InChIKey is DIMXVGNIAAQMMC-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H18ClNO4/c1-10-7-11(3-4-12(10)16)21-9-13(18)17-15(5-2-6-15)8-14(19)20/h3-4,7H,2,5-6,8-9H2,1H3,(H,17,18)(H,19,20).
What are the key properties of 2-[1-[[2-(4-chloro-3-methylphenoxy)acetyl]amino]cyclobutyl]acetic acid?
2-[1-[[2-(4-chloro-3-methylphenoxy)acetyl]amino]cyclobutyl]acetic acid has a molecular weight of 311.76 g/mol, XLogP of 2.54, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[1-[[2-(4-chloro-3-methylphenoxy)acetyl]amino]cyclobutyl]acetic acid is sourced from PubChem (CID 79844652), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).