2-(2-carbamoylphenoxy)-3-methylbutanoic acid

C12H15NO4 — CID 18073009

IUPAC2-(2-carbamoylphenoxy)-3-methylbutanoic acid
SMILESCC(C)C(Oc1ccccc1C(N)=O)C(=O)O
InChIInChI=1S/C12H15NO4/c1-7(2)10(12(15)16)17-9-6-4-3-5-8(9)11(13)14/h3-7,10H,1-2H3,(H2,13,14)(H,15,16)
InChIKeyVDRAWOXVQYAQAC-UHFFFAOYSA-N
MW237.25 g/mol
LogP1.27
Rot. Bonds5

About 2-(2-carbamoylphenoxy)-3-methylbutanoic acid

2-(2-carbamoylphenoxy)-3-methylbutanoic acid (PubChem CID 18073009) has the molecular formula C12H15NO4 and a molecular weight of 237.25 g/mol. Its IUPAC name is 2-(2-carbamoylphenoxy)-3-methylbutanoic acid.

Molecular Properties

Compound Name2-(2-carbamoylphenoxy)-3-methylbutanoic acid
PubChem CID18073009
Molecular FormulaC12H15NO4
Molecular Weight237.25 g/mol
Exact Mass237.10
IUPAC Name2-(2-carbamoylphenoxy)-3-methylbutanoic acid
SMILESCC(C)C(Oc1ccccc1C(N)=O)C(=O)O
InChIInChI=1S/C12H15NO4/c1-7(2)10(12(15)16)17-9-6-4-3-5-8(9)11(13)14/h3-7,10H,1-2H3,(H2,13,14)(H,15,16)
InChIKeyVDRAWOXVQYAQAC-UHFFFAOYSA-N
XLogP1.27
TPSA89.62 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500237.25
LogP ≤ 51.27
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

2-(1-fluoroethoxy)benzamide
CID 57150200
(2-carbamoylphenyl) (2S)-2-aminopropanoate
CID 174745717
2-(1-amino-1-oxobutan-2-yl)oxybenzamide
CID 62899921
ethyl 2-(2-acetylphenoxy)-3-methylbutanoate
CID 15741885
(2-carbamoylphenyl) hydrogen carbonate
CID 91199327
2-[(1R)-1-hydroxy-2-[[(2R)-4-phenylbutan-2-yl]amino]ethoxy]benzamide
CID 70386564
(2S,3S)-2,3-bis(2-methylphenoxy)butanedioic acid
CID 69402969
(2R)-2-[[2-(2-carbamoylphenoxy)acetyl]amino]propanoic acid
CID 54991568
3-methyl-2-(2,4,5-trichlorophenoxy)butanoic acid
CID 43079287
2-(2-hydrazinyl-2-oxo-1-phenylethoxy)benzamide
CID 63576718
bis(2-carbamoylphenyl) propanedioate;but-2-ene
CID 162215150
2-amino-3-(2-carbamoylphenoxy)propanoic acid
CID 65441784

Frequently Asked Questions

What is the IUPAC name of 2-(2-carbamoylphenoxy)-3-methylbutanoic acid?
The IUPAC name of 2-(2-carbamoylphenoxy)-3-methylbutanoic acid (CID 18073009) is 2-(2-carbamoylphenoxy)-3-methylbutanoic acid.
What is the SMILES notation for 2-(2-carbamoylphenoxy)-3-methylbutanoic acid?
The canonical SMILES for 2-(2-carbamoylphenoxy)-3-methylbutanoic acid is CC(C)C(Oc1ccccc1C(N)=O)C(=O)O.
What is the InChIKey of 2-(2-carbamoylphenoxy)-3-methylbutanoic acid?
The InChIKey is VDRAWOXVQYAQAC-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H15NO4/c1-7(2)10(12(15)16)17-9-6-4-3-5-8(9)11(13)14/h3-7,10H,1-2H3,(H2,13,14)(H,15,16).
What are the key properties of 2-(2-carbamoylphenoxy)-3-methylbutanoic acid?
2-(2-carbamoylphenoxy)-3-methylbutanoic acid has a molecular weight of 237.25 g/mol, XLogP of 1.27, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-carbamoylphenoxy)-3-methylbutanoic acid is sourced from PubChem (CID 18073009), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).