2-[2-[(3-methoxy-3-methylbutanoyl)amino]phenoxy]acetic acid

C14H19NO5 — CID 103018697

IUPAC2-[2-[(3-methoxy-3-methylbutanoyl)amino]phenoxy]acetic acid
SMILESCOC(C)(C)CC(=O)Nc1ccccc1OCC(=O)O
InChIInChI=1S/C14H19NO5/c1-14(2,19-3)8-12(16)15-10-6-4-5-7-11(10)20-9-13(17)18/h4-7H,8-9H2,1-3H3,(H,15,16)(H,17,18)
InChIKeyUFXNXNOXRGUBCY-UHFFFAOYSA-N
MW281.31 g/mol
LogP1.90
Rot. Bonds7

About 2-[2-[(3-methoxy-3-methylbutanoyl)amino]phenoxy]acetic acid

2-[2-[(3-methoxy-3-methylbutanoyl)amino]phenoxy]acetic acid (PubChem CID 103018697) has the molecular formula C14H19NO5 and a molecular weight of 281.31 g/mol. Its IUPAC name is 2-[2-[(3-methoxy-3-methylbutanoyl)amino]phenoxy]acetic acid.

Molecular Properties

Compound Name2-[2-[(3-methoxy-3-methylbutanoyl)amino]phenoxy]acetic acid
PubChem CID103018697
Molecular FormulaC14H19NO5
Molecular Weight281.31 g/mol
Exact Mass281.13
IUPAC Name2-[2-[(3-methoxy-3-methylbutanoyl)amino]phenoxy]acetic acid
SMILESCOC(C)(C)CC(=O)Nc1ccccc1OCC(=O)O
InChIInChI=1S/C14H19NO5/c1-14(2,19-3)8-12(16)15-10-6-4-5-7-11(10)20-9-13(17)18/h4-7H,8-9H2,1-3H3,(H,15,16)(H,17,18)
InChIKeyUFXNXNOXRGUBCY-UHFFFAOYSA-N
XLogP1.90
TPSA84.86 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500281.31
LogP ≤ 51.90
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

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2-[2-[[2-(2-oxopyrrolidin-1-yl)acetyl]amino]phenoxy]acetic acid
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2-[2-(but-2-ynoylamino)phenoxy]acetic acid
CID 107986692
2-[2-(3-methylbut-2-enoylamino)phenoxy]acetic acid
CID 55241875
N-(2-methoxyphenyl)-2-[2-(2-methylprop-2-enoxy)anilino]acetamide
CID 54826050
2-[2-[[3-(methylamino)-3-oxopropyl]carbamoylamino]phenoxy]acetic acid
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2-[2-(2-aminobutanoylamino)phenoxy]acetic acid
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Frequently Asked Questions

What is the IUPAC name of 2-[2-[(3-methoxy-3-methylbutanoyl)amino]phenoxy]acetic acid?
The IUPAC name of 2-[2-[(3-methoxy-3-methylbutanoyl)amino]phenoxy]acetic acid (CID 103018697) is 2-[2-[(3-methoxy-3-methylbutanoyl)amino]phenoxy]acetic acid.
What is the SMILES notation for 2-[2-[(3-methoxy-3-methylbutanoyl)amino]phenoxy]acetic acid?
The canonical SMILES for 2-[2-[(3-methoxy-3-methylbutanoyl)amino]phenoxy]acetic acid is COC(C)(C)CC(=O)Nc1ccccc1OCC(=O)O.
What is the InChIKey of 2-[2-[(3-methoxy-3-methylbutanoyl)amino]phenoxy]acetic acid?
The InChIKey is UFXNXNOXRGUBCY-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H19NO5/c1-14(2,19-3)8-12(16)15-10-6-4-5-7-11(10)20-9-13(17)18/h4-7H,8-9H2,1-3H3,(H,15,16)(H,17,18).
What are the key properties of 2-[2-[(3-methoxy-3-methylbutanoyl)amino]phenoxy]acetic acid?
2-[2-[(3-methoxy-3-methylbutanoyl)amino]phenoxy]acetic acid has a molecular weight of 281.31 g/mol, XLogP of 1.90, 7 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-[(3-methoxy-3-methylbutanoyl)amino]phenoxy]acetic acid is sourced from PubChem (CID 103018697), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).