2-[3-[[[1-(3-methylphenyl)cyclopentanecarbonyl]amino]methyl]phenoxy]acetic acid

C22H25NO4 — CID 119246489

IUPAC2-[3-[[[1-(3-methylphenyl)cyclopentanecarbonyl]amino]methyl]phenoxy]acetic acid
SMILESCc1cccc(C2(C(=O)NCc3cccc(OCC(=O)O)c3)CCCC2)c1
InChIInChI=1S/C22H25NO4/c1-16-6-4-8-18(12-16)22(10-2-3-11-22)21(26)23-14-17-7-5-9-19(13-17)27-15-20(24)25/h4-9,12-13H,2-3,10-11,14-15H2,1H3,(H,23,26)(H,24,25)
InChIKeyVKSOEAVKTJZAIX-UHFFFAOYSA-N
MW367.45 g/mol
LogP3.59
Rot. Bonds7

About 2-[3-[[[1-(3-methylphenyl)cyclopentanecarbonyl]amino]methyl]phenoxy]acetic acid

2-[3-[[[1-(3-methylphenyl)cyclopentanecarbonyl]amino]methyl]phenoxy]acetic acid (PubChem CID 119246489) has the molecular formula C22H25NO4 and a molecular weight of 367.45 g/mol. Its IUPAC name is 2-[3-[[[1-(3-methylphenyl)cyclopentanecarbonyl]amino]methyl]phenoxy]acetic acid.

Molecular Properties

Compound Name2-[3-[[[1-(3-methylphenyl)cyclopentanecarbonyl]amino]methyl]phenoxy]acetic acid
PubChem CID119246489
Molecular FormulaC22H25NO4
Molecular Weight367.45 g/mol
Exact Mass367.18
IUPAC Name2-[3-[[[1-(3-methylphenyl)cyclopentanecarbonyl]amino]methyl]phenoxy]acetic acid
SMILESCc1cccc(C2(C(=O)NCc3cccc(OCC(=O)O)c3)CCCC2)c1
InChIInChI=1S/C22H25NO4/c1-16-6-4-8-18(12-16)22(10-2-3-11-22)21(26)23-14-17-7-5-9-19(13-17)27-15-20(24)25/h4-9,12-13H,2-3,10-11,14-15H2,1H3,(H,23,26)(H,24,25)
InChIKeyVKSOEAVKTJZAIX-UHFFFAOYSA-N
XLogP3.59
TPSA75.63 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500367.45
LogP ≤ 53.59
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

2-[3-[[(1-methylsulfonylcyclopentanecarbonyl)amino]methyl]phenoxy]acetic acid
CID 119246792
4-[[1-(3-methylphenyl)cyclopentanecarbonyl]amino]butanoic acid
CID 119170628
1-hydroxy-N-[(3-methylphenyl)methyl]cyclopentane-1-carboxamide
CID 110907173
N-[(1-hydroxycyclobutyl)methyl]-1-(3-methylphenyl)cyclopentane-1-carboxamide
CID 111445825
N-(2-chloroprop-2-enyl)-1-(3-methylphenyl)cyclobutane-1-carboxamide
CID 113238634
1-amino-N-[[3-(2-amino-2-oxoethoxy)phenyl]methyl]cyclohexane-1-carboxamide
CID 119302175
1-amino-N-[[3-[2-(dimethylamino)-2-oxoethoxy]phenyl]methyl]cyclopentane-1-carboxamide
CID 119283211
2-[3-[[[2-(2,5-dimethylphenoxy)acetyl]amino]methyl]phenoxy]acetic acid
CID 119246591
1-[[[1-(3-methylphenyl)cyclobutanecarbonyl]amino]methyl]cyclopropane-1-carboxylic acid
CID 115449997
N-[2-(ethylamino)ethyl]-1-(3-methylphenyl)cyclopentane-1-carboxamide
CID 119507604
N-[(3-ethoxyphenyl)methyl]-1-ethylsulfonyl-4-phenylpiperidine-4-carboxamide
CID 78887706
2-[3-[[3-(3,5-dimethylphenyl)propanoylamino]methyl]phenoxy]acetic acid
CID 120527410

Frequently Asked Questions

What is the IUPAC name of 2-[3-[[[1-(3-methylphenyl)cyclopentanecarbonyl]amino]methyl]phenoxy]acetic acid?
The IUPAC name of 2-[3-[[[1-(3-methylphenyl)cyclopentanecarbonyl]amino]methyl]phenoxy]acetic acid (CID 119246489) is 2-[3-[[[1-(3-methylphenyl)cyclopentanecarbonyl]amino]methyl]phenoxy]acetic acid.
What is the SMILES notation for 2-[3-[[[1-(3-methylphenyl)cyclopentanecarbonyl]amino]methyl]phenoxy]acetic acid?
The canonical SMILES for 2-[3-[[[1-(3-methylphenyl)cyclopentanecarbonyl]amino]methyl]phenoxy]acetic acid is Cc1cccc(C2(C(=O)NCc3cccc(OCC(=O)O)c3)CCCC2)c1.
What is the InChIKey of 2-[3-[[[1-(3-methylphenyl)cyclopentanecarbonyl]amino]methyl]phenoxy]acetic acid?
The InChIKey is VKSOEAVKTJZAIX-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H25NO4/c1-16-6-4-8-18(12-16)22(10-2-3-11-22)21(26)23-14-17-7-5-9-19(13-17)27-15-20(24)25/h4-9,12-13H,2-3,10-11,14-15H2,1H3,(H,23,26)(H,24,25).
What are the key properties of 2-[3-[[[1-(3-methylphenyl)cyclopentanecarbonyl]amino]methyl]phenoxy]acetic acid?
2-[3-[[[1-(3-methylphenyl)cyclopentanecarbonyl]amino]methyl]phenoxy]acetic acid has a molecular weight of 367.45 g/mol, XLogP of 3.59, 7 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[3-[[[1-(3-methylphenyl)cyclopentanecarbonyl]amino]methyl]phenoxy]acetic acid is sourced from PubChem (CID 119246489), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).