2-[2-[[[2-[(2-methylpropan-2-yl)oxy]acetyl]amino]methyl]phenyl]acetic acid

C15H21NO4 — CID 115949291

IUPAC2-[2-[[[2-[(2-methylpropan-2-yl)oxy]acetyl]amino]methyl]phenyl]acetic acid
SMILESCC(C)(C)OCC(=O)NCc1ccccc1CC(=O)O
InChIInChI=1S/C15H21NO4/c1-15(2,3)20-10-13(17)16-9-12-7-5-4-6-11(12)8-14(18)19/h4-7H,8-10H2,1-3H3,(H,16,17)(H,18,19)
InChIKeyVCLGWIVGERMOQG-UHFFFAOYSA-N
MW279.34 g/mol
LogP1.75
Rot. Bonds6

About 2-[2-[[[2-[(2-methylpropan-2-yl)oxy]acetyl]amino]methyl]phenyl]acetic acid

2-[2-[[[2-[(2-methylpropan-2-yl)oxy]acetyl]amino]methyl]phenyl]acetic acid (PubChem CID 115949291) has the molecular formula C15H21NO4 and a molecular weight of 279.34 g/mol. Its IUPAC name is 2-[2-[[[2-[(2-methylpropan-2-yl)oxy]acetyl]amino]methyl]phenyl]acetic acid.

Molecular Properties

Compound Name2-[2-[[[2-[(2-methylpropan-2-yl)oxy]acetyl]amino]methyl]phenyl]acetic acid
PubChem CID115949291
Molecular FormulaC15H21NO4
Molecular Weight279.34 g/mol
Exact Mass279.15
IUPAC Name2-[2-[[[2-[(2-methylpropan-2-yl)oxy]acetyl]amino]methyl]phenyl]acetic acid
SMILESCC(C)(C)OCC(=O)NCc1ccccc1CC(=O)O
InChIInChI=1S/C15H21NO4/c1-15(2,3)20-10-13(17)16-9-12-7-5-4-6-11(12)8-14(18)19/h4-7H,8-10H2,1-3H3,(H,16,17)(H,18,19)
InChIKeyVCLGWIVGERMOQG-UHFFFAOYSA-N
XLogP1.75
TPSA75.63 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500279.34
LogP ≤ 51.75
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-[2-[[[2-[(2-methylpropan-2-yl)oxy]acetyl]amino]methyl]phenyl]acetic acid?
The IUPAC name of 2-[2-[[[2-[(2-methylpropan-2-yl)oxy]acetyl]amino]methyl]phenyl]acetic acid (CID 115949291) is 2-[2-[[[2-[(2-methylpropan-2-yl)oxy]acetyl]amino]methyl]phenyl]acetic acid.
What is the SMILES notation for 2-[2-[[[2-[(2-methylpropan-2-yl)oxy]acetyl]amino]methyl]phenyl]acetic acid?
The canonical SMILES for 2-[2-[[[2-[(2-methylpropan-2-yl)oxy]acetyl]amino]methyl]phenyl]acetic acid is CC(C)(C)OCC(=O)NCc1ccccc1CC(=O)O.
What is the InChIKey of 2-[2-[[[2-[(2-methylpropan-2-yl)oxy]acetyl]amino]methyl]phenyl]acetic acid?
The InChIKey is VCLGWIVGERMOQG-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H21NO4/c1-15(2,3)20-10-13(17)16-9-12-7-5-4-6-11(12)8-14(18)19/h4-7H,8-10H2,1-3H3,(H,16,17)(H,18,19).
What are the key properties of 2-[2-[[[2-[(2-methylpropan-2-yl)oxy]acetyl]amino]methyl]phenyl]acetic acid?
2-[2-[[[2-[(2-methylpropan-2-yl)oxy]acetyl]amino]methyl]phenyl]acetic acid has a molecular weight of 279.34 g/mol, XLogP of 1.75, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-[[[2-[(2-methylpropan-2-yl)oxy]acetyl]amino]methyl]phenyl]acetic acid is sourced from PubChem (CID 115949291), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).