2-[2-(2-methylpentanoylamino)phenoxy]acetic acid

C14H19NO4 — CID 63745685

IUPAC2-[2-(2-methylpentanoylamino)phenoxy]acetic acid
SMILESCCCC(C)C(=O)Nc1ccccc1OCC(=O)O
InChIInChI=1S/C14H19NO4/c1-3-6-10(2)14(18)15-11-7-4-5-8-12(11)19-9-13(16)17/h4-5,7-8,10H,3,6,9H2,1-2H3,(H,15,18)(H,16,17)
InChIKeyVXBWEQKMUONCCE-UHFFFAOYSA-N
MW265.31 g/mol
LogP2.52
Rot. Bonds7

About 2-[2-(2-methylpentanoylamino)phenoxy]acetic acid

2-[2-(2-methylpentanoylamino)phenoxy]acetic acid (PubChem CID 63745685) has the molecular formula C14H19NO4 and a molecular weight of 265.31 g/mol. Its IUPAC name is 2-[2-(2-methylpentanoylamino)phenoxy]acetic acid.

Molecular Properties

Compound Name2-[2-(2-methylpentanoylamino)phenoxy]acetic acid
PubChem CID63745685
Molecular FormulaC14H19NO4
Molecular Weight265.31 g/mol
Exact Mass265.13
IUPAC Name2-[2-(2-methylpentanoylamino)phenoxy]acetic acid
SMILESCCCC(C)C(=O)Nc1ccccc1OCC(=O)O
InChIInChI=1S/C14H19NO4/c1-3-6-10(2)14(18)15-11-7-4-5-8-12(11)19-9-13(16)17/h4-5,7-8,10H,3,6,9H2,1-2H3,(H,15,18)(H,16,17)
InChIKeyVXBWEQKMUONCCE-UHFFFAOYSA-N
XLogP2.52
TPSA75.63 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500265.31
LogP ≤ 52.52
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

N-[2-(2-aminoethoxy)phenyl]-2-methylpentanamide
CID 43369579
2-[2-[(2-amino-3-methylpentanoyl)amino]phenoxy]acetic acid
CID 63745357
2-[2-(2-aminobutanoylamino)phenoxy]acetic acid
CID 63745017
2-[2-[[(2S)-2-amino-4-methylpentanoyl]amino]phenoxy]acetic acid
CID 63746200
N-[2-(bromomethyl)phenyl]-2-methylpentanamide
CID 114309617
methyl 2-(2-methylpentanoylamino)benzoate
CID 2904418
2-methyl-N-phenylpentanamide
CID 4627801
2-[2-(2-propan-2-yloxyethylcarbamoylamino)phenoxy]acetic acid
CID 104763817
N-(2-acetylphenyl)-2-methylpentanamide
CID 43183491
2-methyl-N-naphthalen-1-ylpentanamide
CID 112762783
2-[2-(2-methylprop-2-enoylamino)phenoxy]acetic acid
CID 13070434
2-amino-N-(2-propoxyphenyl)pentanamide
CID 43702443

Frequently Asked Questions

What is the IUPAC name of 2-[2-(2-methylpentanoylamino)phenoxy]acetic acid?
The IUPAC name of 2-[2-(2-methylpentanoylamino)phenoxy]acetic acid (CID 63745685) is 2-[2-(2-methylpentanoylamino)phenoxy]acetic acid.
What is the SMILES notation for 2-[2-(2-methylpentanoylamino)phenoxy]acetic acid?
The canonical SMILES for 2-[2-(2-methylpentanoylamino)phenoxy]acetic acid is CCCC(C)C(=O)Nc1ccccc1OCC(=O)O.
What is the InChIKey of 2-[2-(2-methylpentanoylamino)phenoxy]acetic acid?
The InChIKey is VXBWEQKMUONCCE-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H19NO4/c1-3-6-10(2)14(18)15-11-7-4-5-8-12(11)19-9-13(16)17/h4-5,7-8,10H,3,6,9H2,1-2H3,(H,15,18)(H,16,17).
What are the key properties of 2-[2-(2-methylpentanoylamino)phenoxy]acetic acid?
2-[2-(2-methylpentanoylamino)phenoxy]acetic acid has a molecular weight of 265.31 g/mol, XLogP of 2.52, 7 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-(2-methylpentanoylamino)phenoxy]acetic acid is sourced from PubChem (CID 63745685), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).