2-(4-carbamoylphenoxy)-2-methylbutanoic acid

C12H15NO4 — CID 114990324

IUPAC2-(4-carbamoylphenoxy)-2-methylbutanoic acid
SMILESCCC(C)(Oc1ccc(C(N)=O)cc1)C(=O)O
InChIInChI=1S/C12H15NO4/c1-3-12(2,11(15)16)17-9-6-4-8(5-7-9)10(13)14/h4-7H,3H2,1-2H3,(H2,13,14)(H,15,16)
InChIKeyNYSIAZQZZWGBTE-UHFFFAOYSA-N
MW237.26 g/mol
LogP1.42
Rot. Bonds5

About 2-(4-carbamoylphenoxy)-2-methylbutanoic acid

2-(4-carbamoylphenoxy)-2-methylbutanoic acid (PubChem CID 114990324) has the molecular formula C12H15NO4 and a molecular weight of 237.26 g/mol. Its IUPAC name is 2-(4-carbamoylphenoxy)-2-methylbutanoic acid.

Molecular Properties

Compound Name2-(4-carbamoylphenoxy)-2-methylbutanoic acid
PubChem CID114990324
Molecular FormulaC12H15NO4
Molecular Weight237.26 g/mol
Exact Mass237.10
IUPAC Name2-(4-carbamoylphenoxy)-2-methylbutanoic acid
SMILESCCC(C)(Oc1ccc(C(N)=O)cc1)C(=O)O
InChIInChI=1S/C12H15NO4/c1-3-12(2,11(15)16)17-9-6-4-8(5-7-9)10(13)14/h4-7H,3H2,1-2H3,(H2,13,14)(H,15,16)
InChIKeyNYSIAZQZZWGBTE-UHFFFAOYSA-N
XLogP1.42
TPSA89.62 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500237.26
LogP ≤ 51.42
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-(4-carbamoylphenoxy)-2-methylbutanoic acid?
The IUPAC name of 2-(4-carbamoylphenoxy)-2-methylbutanoic acid (CID 114990324) is 2-(4-carbamoylphenoxy)-2-methylbutanoic acid.
What is the SMILES notation for 2-(4-carbamoylphenoxy)-2-methylbutanoic acid?
The canonical SMILES for 2-(4-carbamoylphenoxy)-2-methylbutanoic acid is CCC(C)(Oc1ccc(C(N)=O)cc1)C(=O)O.
What is the InChIKey of 2-(4-carbamoylphenoxy)-2-methylbutanoic acid?
The InChIKey is NYSIAZQZZWGBTE-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H15NO4/c1-3-12(2,11(15)16)17-9-6-4-8(5-7-9)10(13)14/h4-7H,3H2,1-2H3,(H2,13,14)(H,15,16).
What are the key properties of 2-(4-carbamoylphenoxy)-2-methylbutanoic acid?
2-(4-carbamoylphenoxy)-2-methylbutanoic acid has a molecular weight of 237.26 g/mol, XLogP of 1.42, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-carbamoylphenoxy)-2-methylbutanoic acid is sourced from PubChem (CID 114990324), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).