2-[2-(cyclobutylmethylcarbamoylamino)phenoxy]acetic acid

C14H18N2O4 — CID 63746736

IUPAC2-[2-(cyclobutylmethylcarbamoylamino)phenoxy]acetic acid
SMILESO=C(O)COc1ccccc1NC(=O)NCC1CCC1
InChIInChI=1S/C14H18N2O4/c17-13(18)9-20-12-7-2-1-6-11(12)16-14(19)15-8-10-4-3-5-10/h1-2,6-7,10H,3-5,8-9H2,(H,17,18)(H2,15,16,19)
InChIKeyTXILPLROXHWCEE-UHFFFAOYSA-N
MW278.31 g/mol
LogP2.07
Rot. Bonds6

About 2-[2-(cyclobutylmethylcarbamoylamino)phenoxy]acetic acid

2-[2-(cyclobutylmethylcarbamoylamino)phenoxy]acetic acid (PubChem CID 63746736) has the molecular formula C14H18N2O4 and a molecular weight of 278.31 g/mol. Its IUPAC name is 2-[2-(cyclobutylmethylcarbamoylamino)phenoxy]acetic acid.

Molecular Properties

Compound Name2-[2-(cyclobutylmethylcarbamoylamino)phenoxy]acetic acid
PubChem CID63746736
Molecular FormulaC14H18N2O4
Molecular Weight278.31 g/mol
Exact Mass278.13
IUPAC Name2-[2-(cyclobutylmethylcarbamoylamino)phenoxy]acetic acid
SMILESO=C(O)COc1ccccc1NC(=O)NCC1CCC1
InChIInChI=1S/C14H18N2O4/c17-13(18)9-20-12-7-2-1-6-11(12)16-14(19)15-8-10-4-3-5-10/h1-2,6-7,10H,3-5,8-9H2,(H,17,18)(H2,15,16,19)
InChIKeyTXILPLROXHWCEE-UHFFFAOYSA-N
XLogP2.07
TPSA87.66 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500278.31
LogP ≤ 52.07
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Related Compounds

2-[2-[[cyclobutylmethyl(methyl)carbamoyl]amino]phenoxy]acetic acid
CID 63747082
2-[2-(2,2,2-trifluoroethylcarbamoylamino)phenoxy]acetic acid
CID 63746569
1-(2-ethoxyphenyl)-3-(oxan-4-ylmethyl)urea
CID 108912943
2-[2-(piperidin-4-ylcarbamoylamino)phenoxy]acetic acid
CID 63746907
2-[2-[[3-(methylamino)-3-oxopropyl]carbamoylamino]phenoxy]acetic acid
CID 63747077
2-[2-(4-methoxybutylcarbamoylamino)phenoxy]acetic acid
CID 63747383
2-[2-(2-propan-2-yloxyethylcarbamoylamino)phenoxy]acetic acid
CID 104763817
2-[2-[[(2R)-pyrrolidine-2-carbonyl]amino]phenoxy]acetic acid
CID 104901156
1-(2-chlorophenyl)-3-[[(1S,3S)-3-[[(2-chlorophenyl)carbamoylamino]methyl]cyclohexyl]methyl]urea
CID 27138030
1-(2-chloro-3-pyridinyl)-3-(cyclohexylmethyl)urea
CID 108902883
2-[2-(oxane-4-carbonylamino)phenoxy]acetic acid
CID 63745167
2-[2-(thiophen-3-ylmethylcarbamoylamino)phenoxy]acetic acid
CID 63747084

Frequently Asked Questions

What is the IUPAC name of 2-[2-(cyclobutylmethylcarbamoylamino)phenoxy]acetic acid?
The IUPAC name of 2-[2-(cyclobutylmethylcarbamoylamino)phenoxy]acetic acid (CID 63746736) is 2-[2-(cyclobutylmethylcarbamoylamino)phenoxy]acetic acid.
What is the SMILES notation for 2-[2-(cyclobutylmethylcarbamoylamino)phenoxy]acetic acid?
The canonical SMILES for 2-[2-(cyclobutylmethylcarbamoylamino)phenoxy]acetic acid is O=C(O)COc1ccccc1NC(=O)NCC1CCC1.
What is the InChIKey of 2-[2-(cyclobutylmethylcarbamoylamino)phenoxy]acetic acid?
The InChIKey is TXILPLROXHWCEE-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H18N2O4/c17-13(18)9-20-12-7-2-1-6-11(12)16-14(19)15-8-10-4-3-5-10/h1-2,6-7,10H,3-5,8-9H2,(H,17,18)(H2,15,16,19).
What are the key properties of 2-[2-(cyclobutylmethylcarbamoylamino)phenoxy]acetic acid?
2-[2-(cyclobutylmethylcarbamoylamino)phenoxy]acetic acid has a molecular weight of 278.31 g/mol, XLogP of 2.07, 6 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-(cyclobutylmethylcarbamoylamino)phenoxy]acetic acid is sourced from PubChem (CID 63746736), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).