2-[2-[[cyclobutylmethyl(methyl)carbamoyl]amino]phenoxy]acetic acid

C15H20N2O4 — CID 63747082

IUPAC2-[2-[[cyclobutylmethyl(methyl)carbamoyl]amino]phenoxy]acetic acid
SMILESCN(CC1CCC1)C(=O)Nc1ccccc1OCC(=O)O
InChIInChI=1S/C15H20N2O4/c1-17(9-11-5-4-6-11)15(20)16-12-7-2-3-8-13(12)21-10-14(18)19/h2-3,7-8,11H,4-6,9-10H2,1H3,(H,16,20)(H,18,19)
InChIKeyXBUCJHXKFOAHTD-UHFFFAOYSA-N
MW292.34 g/mol
LogP2.41
Rot. Bonds6

About 2-[2-[[cyclobutylmethyl(methyl)carbamoyl]amino]phenoxy]acetic acid

2-[2-[[cyclobutylmethyl(methyl)carbamoyl]amino]phenoxy]acetic acid (PubChem CID 63747082) has the molecular formula C15H20N2O4 and a molecular weight of 292.34 g/mol. Its IUPAC name is 2-[2-[[cyclobutylmethyl(methyl)carbamoyl]amino]phenoxy]acetic acid.

Molecular Properties

Compound Name2-[2-[[cyclobutylmethyl(methyl)carbamoyl]amino]phenoxy]acetic acid
PubChem CID63747082
Molecular FormulaC15H20N2O4
Molecular Weight292.34 g/mol
Exact Mass292.14
IUPAC Name2-[2-[[cyclobutylmethyl(methyl)carbamoyl]amino]phenoxy]acetic acid
SMILESCN(CC1CCC1)C(=O)Nc1ccccc1OCC(=O)O
InChIInChI=1S/C15H20N2O4/c1-17(9-11-5-4-6-11)15(20)16-12-7-2-3-8-13(12)21-10-14(18)19/h2-3,7-8,11H,4-6,9-10H2,1H3,(H,16,20)(H,18,19)
InChIKeyXBUCJHXKFOAHTD-UHFFFAOYSA-N
XLogP2.41
TPSA78.87 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500292.34
LogP ≤ 52.41
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

2-[4-[[cyclobutylmethyl(methyl)carbamoyl]amino]phenoxy]acetic acid
CID 63772383
2-[2-(cyclobutylmethylcarbamoylamino)phenoxy]acetic acid
CID 63746736
1-(cyclopropylmethyl)-1-methyl-3-[2-(3-methylphenoxy)phenyl]urea
CID 112838266
1-[(2-hydroxycyclopentyl)methyl]-1-methyl-3-(2-propan-2-yloxyphenyl)urea
CID 109396973
2-[[cyclopentylmethyl(methyl)carbamoyl]amino]-4-fluorobenzoic acid
CID 63656160
2-[2-(piperidin-4-ylcarbamoylamino)phenoxy]acetic acid
CID 63746907
2-[2-[[(2R)-pyrrolidine-2-carbonyl]amino]phenoxy]acetic acid
CID 104901156
2-[2-[[2-(hydroxymethyl)pyrrolidine-1-carbonyl]amino]phenoxy]acetic acid
CID 63747068
2-[2-(oxane-4-carbonylamino)phenoxy]acetic acid
CID 63745167
2-[[cyclobutylmethyl(methyl)carbamoyl]amino]-5-iodobenzoic acid
CID 63112008
2-[2-(2-methylprop-2-enoylamino)phenoxy]acetic acid
CID 13070434
2-[[cyclopropylmethyl(methyl)carbamoyl]amino]-6-fluorobenzoic acid
CID 61208825

Frequently Asked Questions

What is the IUPAC name of 2-[2-[[cyclobutylmethyl(methyl)carbamoyl]amino]phenoxy]acetic acid?
The IUPAC name of 2-[2-[[cyclobutylmethyl(methyl)carbamoyl]amino]phenoxy]acetic acid (CID 63747082) is 2-[2-[[cyclobutylmethyl(methyl)carbamoyl]amino]phenoxy]acetic acid.
What is the SMILES notation for 2-[2-[[cyclobutylmethyl(methyl)carbamoyl]amino]phenoxy]acetic acid?
The canonical SMILES for 2-[2-[[cyclobutylmethyl(methyl)carbamoyl]amino]phenoxy]acetic acid is CN(CC1CCC1)C(=O)Nc1ccccc1OCC(=O)O.
What is the InChIKey of 2-[2-[[cyclobutylmethyl(methyl)carbamoyl]amino]phenoxy]acetic acid?
The InChIKey is XBUCJHXKFOAHTD-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H20N2O4/c1-17(9-11-5-4-6-11)15(20)16-12-7-2-3-8-13(12)21-10-14(18)19/h2-3,7-8,11H,4-6,9-10H2,1H3,(H,16,20)(H,18,19).
What are the key properties of 2-[2-[[cyclobutylmethyl(methyl)carbamoyl]amino]phenoxy]acetic acid?
2-[2-[[cyclobutylmethyl(methyl)carbamoyl]amino]phenoxy]acetic acid has a molecular weight of 292.34 g/mol, XLogP of 2.41, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-[[cyclobutylmethyl(methyl)carbamoyl]amino]phenoxy]acetic acid is sourced from PubChem (CID 63747082), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).