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

C14H19NO4 — CID 69115403

IUPAC2-[4-[[2-[(2-methylpropan-2-yl)oxy]-2-oxoethyl]amino]phenyl]acetic acid
SMILESCC(C)(C)OC(=O)CNc1ccc(CC(=O)O)cc1
InChIInChI=1S/C14H19NO4/c1-14(2,3)19-13(18)9-15-11-6-4-10(5-7-11)8-12(16)17/h4-7,15H,8-9H2,1-3H3,(H,16,17)
InChIKeyKNSWLDKCWCUILL-UHFFFAOYSA-N
MW265.31 g/mol
LogP2.07
Rot. Bonds5

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

2-[4-[[2-[(2-methylpropan-2-yl)oxy]-2-oxoethyl]amino]phenyl]acetic acid (PubChem CID 69115403) has the molecular formula C14H19NO4 and a molecular weight of 265.31 g/mol. Its IUPAC name is 2-[4-[[2-[(2-methylpropan-2-yl)oxy]-2-oxoethyl]amino]phenyl]acetic acid.

Molecular Properties

Compound Name2-[4-[[2-[(2-methylpropan-2-yl)oxy]-2-oxoethyl]amino]phenyl]acetic acid
PubChem CID69115403
Molecular FormulaC14H19NO4
Molecular Weight265.31 g/mol
Exact Mass265.13
IUPAC Name2-[4-[[2-[(2-methylpropan-2-yl)oxy]-2-oxoethyl]amino]phenyl]acetic acid
SMILESCC(C)(C)OC(=O)CNc1ccc(CC(=O)O)cc1
InChIInChI=1S/C14H19NO4/c1-14(2,3)19-13(18)9-15-11-6-4-10(5-7-11)8-12(16)17/h4-7,15H,8-9H2,1-3H3,(H,16,17)
InChIKeyKNSWLDKCWCUILL-UHFFFAOYSA-N
XLogP2.07
TPSA75.63 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500265.31
LogP ≤ 52.07
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

2-[4-[[2-[(2-methylpropan-2-yl)oxy]-2-oxoethyl]amino]oxyphenyl]acetic acid
CID 166866733
2-(4-bromophenyl)acetic acid;tert-butyl 2-[[2-(4-bromophenyl)acetyl]amino]acetate
CID 160789359
tert-butyl 2-[4-(dimethylamino)anilino]acetate
CID 19001978
tert-butyl 2-[(6-methyl-3-pyridinyl)amino]acetate
CID 148647674
2-[4-[(2-methoxy-2-methylpropanoyl)amino]phenyl]acetic acid
CID 113424569
tert-butyl 2-[4-[2-[4-[4-[2-[4-[2-[(2-methylpropan-2-yl)oxy]-2-oxoethyl]phenyl]-2-oxoethyl]anilino]phenyl]acetyl]phenyl]acetate
CID 160654875
2-[4-[2-amino-1-methoxy-3-[(2-methylpropan-2-yl)oxy]-1,3-dioxopropan-2-yl]phenyl]acetic acid
CID 57082417
2-[4-[[(2-methylpropan-2-yl)oxyamino]methyl]phenyl]acetic acid
CID 103261398
tert-butyl 2-(3-hydroxyanilino)acetate
CID 68777039
2-[4-[methyl-[(2-methylpropan-2-yl)oxycarbonyl]amino]phenyl]acetic acid
CID 10730397
tert-butyl 2-(2-anilinoethylamino)acetate
CID 69347294
2-[4-[(2S)-2-[(2-methylpropan-2-yl)oxycarbonylamino]propyl]phenyl]acetic acid
CID 129405884

Frequently Asked Questions

What is the IUPAC name of 2-[4-[[2-[(2-methylpropan-2-yl)oxy]-2-oxoethyl]amino]phenyl]acetic acid?
The IUPAC name of 2-[4-[[2-[(2-methylpropan-2-yl)oxy]-2-oxoethyl]amino]phenyl]acetic acid (CID 69115403) is 2-[4-[[2-[(2-methylpropan-2-yl)oxy]-2-oxoethyl]amino]phenyl]acetic acid.
What is the SMILES notation for 2-[4-[[2-[(2-methylpropan-2-yl)oxy]-2-oxoethyl]amino]phenyl]acetic acid?
The canonical SMILES for 2-[4-[[2-[(2-methylpropan-2-yl)oxy]-2-oxoethyl]amino]phenyl]acetic acid is CC(C)(C)OC(=O)CNc1ccc(CC(=O)O)cc1.
What is the InChIKey of 2-[4-[[2-[(2-methylpropan-2-yl)oxy]-2-oxoethyl]amino]phenyl]acetic acid?
The InChIKey is KNSWLDKCWCUILL-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H19NO4/c1-14(2,3)19-13(18)9-15-11-6-4-10(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]phenyl]acetic acid?
2-[4-[[2-[(2-methylpropan-2-yl)oxy]-2-oxoethyl]amino]phenyl]acetic acid has a molecular weight of 265.31 g/mol, XLogP of 2.07, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-[[2-[(2-methylpropan-2-yl)oxy]-2-oxoethyl]amino]phenyl]acetic acid is sourced from PubChem (CID 69115403), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).