2-[4-[(1-methylcyclobutanecarbonyl)amino]phenoxy]acetic acid

C14H17NO4 — CID 120537255

IUPAC2-[4-[(1-methylcyclobutanecarbonyl)amino]phenoxy]acetic acid
SMILESCC1(C(=O)Nc2ccc(OCC(=O)O)cc2)CCC1
InChIInChI=1S/C14H17NO4/c1-14(7-2-8-14)13(18)15-10-3-5-11(6-4-10)19-9-12(16)17/h3-6H,2,7-9H2,1H3,(H,15,18)(H,16,17)
InChIKeyGHBZQBYIJHHZCW-UHFFFAOYSA-N
MW263.29 g/mol
LogP2.28
Rot. Bonds5

About 2-[4-[(1-methylcyclobutanecarbonyl)amino]phenoxy]acetic acid

2-[4-[(1-methylcyclobutanecarbonyl)amino]phenoxy]acetic acid (PubChem CID 120537255) has the molecular formula C14H17NO4 and a molecular weight of 263.29 g/mol. Its IUPAC name is 2-[4-[(1-methylcyclobutanecarbonyl)amino]phenoxy]acetic acid.

Molecular Properties

Compound Name2-[4-[(1-methylcyclobutanecarbonyl)amino]phenoxy]acetic acid
PubChem CID120537255
Molecular FormulaC14H17NO4
Molecular Weight263.29 g/mol
Exact Mass263.12
IUPAC Name2-[4-[(1-methylcyclobutanecarbonyl)amino]phenoxy]acetic acid
SMILESCC1(C(=O)Nc2ccc(OCC(=O)O)cc2)CCC1
InChIInChI=1S/C14H17NO4/c1-14(7-2-8-14)13(18)15-10-3-5-11(6-4-10)19-9-12(16)17/h3-6H,2,7-9H2,1H3,(H,15,18)(H,16,17)
InChIKeyGHBZQBYIJHHZCW-UHFFFAOYSA-N
XLogP2.28
TPSA75.63 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500263.29
LogP ≤ 52.28
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

2-[4-[[1-(aminomethyl)cyclobutanecarbonyl]amino]phenoxy]acetic acid
CID 115448556
1-methyl-N-[4-(2-methylpropoxy)phenyl]cyclopentane-1-carboxamide
CID 100691652
2-[4-[[1-(4-methoxyphenyl)cyclopentanecarbonyl]amino]phenoxy]acetic acid
CID 100668327
2-[4-[[1-(4-chlorophenyl)cyclopentanecarbonyl]amino]phenoxy]acetic acid
CID 100665395
N-[4-(2-amino-2-oxoethoxy)phenyl]-3-methylpiperidine-3-carboxamide;hydrochloride
CID 119944287
N-(4-butan-2-yloxyphenyl)-1-methylcyclopentane-1-carboxamide
CID 133245841
2-[[2-[4-[(1-methylcycloheptanecarbonyl)amino]phenyl]acetyl]amino]acetic acid
CID 120523468
2-[4-[[2-(ethylamino)acetyl]amino]phenoxy]acetic acid
CID 63745882
1-methyl-N-[4-[2-(4-methylpiperidin-1-yl)ethoxy]phenyl]cyclopentane-1-carboxamide
CID 100691827
methyl 2-[4-[(3-methylpyrrolidine-3-carbonyl)amino]phenoxy]acetate
CID 63139631
2-[4-(pyrrolidine-1-carbonylamino)phenoxy]acetic acid
CID 63772208
2-[4-[2-(methylamino)propanoylamino]phenoxy]acetic acid
CID 63745547

Frequently Asked Questions

What is the IUPAC name of 2-[4-[(1-methylcyclobutanecarbonyl)amino]phenoxy]acetic acid?
The IUPAC name of 2-[4-[(1-methylcyclobutanecarbonyl)amino]phenoxy]acetic acid (CID 120537255) is 2-[4-[(1-methylcyclobutanecarbonyl)amino]phenoxy]acetic acid.
What is the SMILES notation for 2-[4-[(1-methylcyclobutanecarbonyl)amino]phenoxy]acetic acid?
The canonical SMILES for 2-[4-[(1-methylcyclobutanecarbonyl)amino]phenoxy]acetic acid is CC1(C(=O)Nc2ccc(OCC(=O)O)cc2)CCC1.
What is the InChIKey of 2-[4-[(1-methylcyclobutanecarbonyl)amino]phenoxy]acetic acid?
The InChIKey is GHBZQBYIJHHZCW-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H17NO4/c1-14(7-2-8-14)13(18)15-10-3-5-11(6-4-10)19-9-12(16)17/h3-6H,2,7-9H2,1H3,(H,15,18)(H,16,17).
What are the key properties of 2-[4-[(1-methylcyclobutanecarbonyl)amino]phenoxy]acetic acid?
2-[4-[(1-methylcyclobutanecarbonyl)amino]phenoxy]acetic acid has a molecular weight of 263.29 g/mol, XLogP of 2.28, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-[(1-methylcyclobutanecarbonyl)amino]phenoxy]acetic acid is sourced from PubChem (CID 120537255), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).