2-[4-[[2-[(2-methylpropan-2-yl)oxy]-2-oxoethyl]amino]oxyphenyl]acetic acid

C14H19NO5 — CID 166866733

IUPAC2-[4-[[2-[(2-methylpropan-2-yl)oxy]-2-oxoethyl]amino]oxyphenyl]acetic acid
SMILESCC(C)(C)OC(=O)CNOc1ccc(CC(=O)O)cc1
InChIInChI=1S/C14H19NO5/c1-14(2,3)19-13(18)9-15-20-11-6-4-10(5-7-11)8-12(16)17/h4-7,15H,8-9H2,1-3H3,(H,16,17)
InChIKeyMIYFKYKFRIRXTJ-UHFFFAOYSA-N
MW281.31 g/mol
LogP1.54
Rot. Bonds6

About 2-[4-[[2-[(2-methylpropan-2-yl)oxy]-2-oxoethyl]amino]oxyphenyl]acetic acid

2-[4-[[2-[(2-methylpropan-2-yl)oxy]-2-oxoethyl]amino]oxyphenyl]acetic acid (PubChem CID 166866733) has the molecular formula C14H19NO5 and a molecular weight of 281.31 g/mol. Its IUPAC name is 2-[4-[[2-[(2-methylpropan-2-yl)oxy]-2-oxoethyl]amino]oxyphenyl]acetic acid.

Molecular Properties

Compound Name2-[4-[[2-[(2-methylpropan-2-yl)oxy]-2-oxoethyl]amino]oxyphenyl]acetic acid
PubChem CID166866733
Molecular FormulaC14H19NO5
Molecular Weight281.31 g/mol
Exact Mass281.13
IUPAC Name2-[4-[[2-[(2-methylpropan-2-yl)oxy]-2-oxoethyl]amino]oxyphenyl]acetic acid
SMILESCC(C)(C)OC(=O)CNOc1ccc(CC(=O)O)cc1
InChIInChI=1S/C14H19NO5/c1-14(2,3)19-13(18)9-15-20-11-6-4-10(5-7-11)8-12(16)17/h4-7,15H,8-9H2,1-3H3,(H,16,17)
InChIKeyMIYFKYKFRIRXTJ-UHFFFAOYSA-N
XLogP1.54
TPSA84.86 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500281.31
LogP ≤ 51.54
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

2-[4-[[2-[(2-methylpropan-2-yl)oxy]-2-oxoethyl]amino]phenyl]acetic acid
CID 69115403
2-(4-bromophenyl)acetic acid;tert-butyl 2-[[2-(4-bromophenyl)acetyl]amino]acetate
CID 160789359
2-[4-[[(2-methylpropan-2-yl)oxyamino]methyl]phenyl]acetic acid
CID 103261398
2-[4-[methyl-[(2-methylpropan-2-yl)oxycarbonyl]amino]phenyl]acetic acid
CID 10730397
2-[4-[[(2-methylpropan-2-yl)oxycarbonyl-propan-2-ylamino]methyl]phenyl]acetic acid
CID 170835837
tert-butyl 2-[[4-(trifluoromethoxy)phenyl]methylamino]acetate
CID 112725551
2-[4-[2-amino-1-methoxy-3-[(2-methylpropan-2-yl)oxy]-1,3-dioxopropan-2-yl]phenyl]acetic acid
CID 57082417
tert-butyl 2-[(4-isothiocyanatophenyl)methylamino]acetate
CID 139977488
2-[4-[(2S)-2-[(2-methylpropan-2-yl)oxycarbonylamino]propyl]phenyl]acetic acid
CID 129405884
tert-butyl 2-[(4-phenylmethoxyphenyl)methylamino]acetate
CID 54470705
2-(4-hydroperoxyphenyl)acetic acid
CID 151534269
2-[4-(2,2-difluoropropoxy)phenyl]acetic acid
CID 84693365

Frequently Asked Questions

What is the IUPAC name of 2-[4-[[2-[(2-methylpropan-2-yl)oxy]-2-oxoethyl]amino]oxyphenyl]acetic acid?
The IUPAC name of 2-[4-[[2-[(2-methylpropan-2-yl)oxy]-2-oxoethyl]amino]oxyphenyl]acetic acid (CID 166866733) is 2-[4-[[2-[(2-methylpropan-2-yl)oxy]-2-oxoethyl]amino]oxyphenyl]acetic acid.
What is the SMILES notation for 2-[4-[[2-[(2-methylpropan-2-yl)oxy]-2-oxoethyl]amino]oxyphenyl]acetic acid?
The canonical SMILES for 2-[4-[[2-[(2-methylpropan-2-yl)oxy]-2-oxoethyl]amino]oxyphenyl]acetic acid is CC(C)(C)OC(=O)CNOc1ccc(CC(=O)O)cc1.
What is the InChIKey of 2-[4-[[2-[(2-methylpropan-2-yl)oxy]-2-oxoethyl]amino]oxyphenyl]acetic acid?
The InChIKey is MIYFKYKFRIRXTJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H19NO5/c1-14(2,3)19-13(18)9-15-20-11-6-4-10(5-7-11)8-12(16)17/h4-7,15H,8-9H2,1-3H3,(H,16,17).
What are the key properties of 2-[4-[[2-[(2-methylpropan-2-yl)oxy]-2-oxoethyl]amino]oxyphenyl]acetic acid?
2-[4-[[2-[(2-methylpropan-2-yl)oxy]-2-oxoethyl]amino]oxyphenyl]acetic acid has a molecular weight of 281.31 g/mol, XLogP of 1.54, 6 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-[[2-[(2-methylpropan-2-yl)oxy]-2-oxoethyl]amino]oxyphenyl]acetic acid is sourced from PubChem (CID 166866733), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).