2-[4-[(2-methylcyclopentanecarbonyl)amino]phenoxy]acetic acid

C15H19NO4 — CID 107175510

IUPAC2-[4-[(2-methylcyclopentanecarbonyl)amino]phenoxy]acetic acid
SMILESCC1CCCC1C(=O)Nc1ccc(OCC(=O)O)cc1
InChIInChI=1S/C15H19NO4/c1-10-3-2-4-13(10)15(19)16-11-5-7-12(8-6-11)20-9-14(17)18/h5-8,10,13H,2-4,9H2,1H3,(H,16,19)(H,17,18)
InChIKeyPXOBRCSZJRHOIJ-UHFFFAOYSA-N
MW277.32 g/mol
LogP2.52
Rot. Bonds5

About 2-[4-[(2-methylcyclopentanecarbonyl)amino]phenoxy]acetic acid

2-[4-[(2-methylcyclopentanecarbonyl)amino]phenoxy]acetic acid (PubChem CID 107175510) has the molecular formula C15H19NO4 and a molecular weight of 277.32 g/mol. Its IUPAC name is 2-[4-[(2-methylcyclopentanecarbonyl)amino]phenoxy]acetic acid.

Molecular Properties

Compound Name2-[4-[(2-methylcyclopentanecarbonyl)amino]phenoxy]acetic acid
PubChem CID107175510
Molecular FormulaC15H19NO4
Molecular Weight277.32 g/mol
Exact Mass277.13
IUPAC Name2-[4-[(2-methylcyclopentanecarbonyl)amino]phenoxy]acetic acid
SMILESCC1CCCC1C(=O)Nc1ccc(OCC(=O)O)cc1
InChIInChI=1S/C15H19NO4/c1-10-3-2-4-13(10)15(19)16-11-5-7-12(8-6-11)20-9-14(17)18/h5-8,10,13H,2-4,9H2,1H3,(H,16,19)(H,17,18)
InChIKeyPXOBRCSZJRHOIJ-UHFFFAOYSA-N
XLogP2.52
TPSA75.63 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500277.32
LogP ≤ 52.52
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

N-(4-methoxyphenyl)-2-methylcyclohexane-1-carboxamide
CID 4262812
2-[4-[[(2R)-pyrrolidine-2-carbonyl]amino]phenoxy]acetic acid
CID 104901157
2-[4-(oxane-4-carbonylamino)phenoxy]acetic acid
CID 62033736
2-[4-[[(2R)-piperidine-2-carbonyl]amino]phenoxy]acetic acid
CID 104913965
2-[4-[(4-aminooxolane-3-carbonyl)amino]phenoxy]acetic acid
CID 66237709
2-[4-(cyclopentylcarbamoylamino)phenoxy]acetic acid
CID 63772718
N-[4-[(cyclopropylamino)methyl]phenyl]-2-methylcyclopentane-1-carboxamide
CID 107176074
N-[4-(4-hydroxybut-1-ynyl)phenyl]-2-methylcyclopentane-1-carboxamide
CID 107181295
2-[4-[[cyclobutylmethyl(methyl)carbamoyl]amino]phenoxy]acetic acid
CID 63772383
2-[(4-decoxyphenyl)carbamoyl]cyclohexane-1-carboxylic acid
CID 56970029
trans-(1S,2S)-2-[(4-methoxyphenyl)carbamoyl]cyclohexane-1-carboxylic acid
CID 774391
2-[4-[[2-[(2-methylpropan-2-yl)oxy]acetyl]amino]phenoxy]acetic acid
CID 115949264

Frequently Asked Questions

What is the IUPAC name of 2-[4-[(2-methylcyclopentanecarbonyl)amino]phenoxy]acetic acid?
The IUPAC name of 2-[4-[(2-methylcyclopentanecarbonyl)amino]phenoxy]acetic acid (CID 107175510) is 2-[4-[(2-methylcyclopentanecarbonyl)amino]phenoxy]acetic acid.
What is the SMILES notation for 2-[4-[(2-methylcyclopentanecarbonyl)amino]phenoxy]acetic acid?
The canonical SMILES for 2-[4-[(2-methylcyclopentanecarbonyl)amino]phenoxy]acetic acid is CC1CCCC1C(=O)Nc1ccc(OCC(=O)O)cc1.
What is the InChIKey of 2-[4-[(2-methylcyclopentanecarbonyl)amino]phenoxy]acetic acid?
The InChIKey is PXOBRCSZJRHOIJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H19NO4/c1-10-3-2-4-13(10)15(19)16-11-5-7-12(8-6-11)20-9-14(17)18/h5-8,10,13H,2-4,9H2,1H3,(H,16,19)(H,17,18).
What are the key properties of 2-[4-[(2-methylcyclopentanecarbonyl)amino]phenoxy]acetic acid?
2-[4-[(2-methylcyclopentanecarbonyl)amino]phenoxy]acetic acid has a molecular weight of 277.32 g/mol, XLogP of 2.52, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-[(2-methylcyclopentanecarbonyl)amino]phenoxy]acetic acid is sourced from PubChem (CID 107175510), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).