2-acetamido-3-(2-chlorophenoxy)propanoic acid

C11H12ClNO4 — CID 65443959

IUPAC2-acetamido-3-(2-chlorophenoxy)propanoic acid
SMILESCC(=O)NC(COc1ccccc1Cl)C(=O)O
InChIInChI=1S/C11H12ClNO4/c1-7(14)13-9(11(15)16)6-17-10-5-3-2-4-8(10)12/h2-5,9H,6H2,1H3,(H,13,14)(H,15,16)
InChIKeyFUXTYDBXOOBFCP-UHFFFAOYSA-N
MW257.67 g/mol
LogP1.31
Rot. Bonds5

About 2-acetamido-3-(2-chlorophenoxy)propanoic acid

2-acetamido-3-(2-chlorophenoxy)propanoic acid (PubChem CID 65443959) has the molecular formula C11H12ClNO4 and a molecular weight of 257.67 g/mol. Its IUPAC name is 2-acetamido-3-(2-chlorophenoxy)propanoic acid.

Molecular Properties

Compound Name2-acetamido-3-(2-chlorophenoxy)propanoic acid
PubChem CID65443959
Molecular FormulaC11H12ClNO4
Molecular Weight257.67 g/mol
Exact Mass257.05
IUPAC Name2-acetamido-3-(2-chlorophenoxy)propanoic acid
SMILESCC(=O)NC(COc1ccccc1Cl)C(=O)O
InChIInChI=1S/C11H12ClNO4/c1-7(14)13-9(11(15)16)6-17-10-5-3-2-4-8(10)12/h2-5,9H,6H2,1H3,(H,13,14)(H,15,16)
InChIKeyFUXTYDBXOOBFCP-UHFFFAOYSA-N
XLogP1.31
TPSA75.63 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500257.67
LogP ≤ 51.31
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

2-acetamido-3-(2-bromophenoxy)propanoic acid
CID 65442968
(2S)-3-(2-chlorophenoxy)-2-(methylamino)propanoic acid
CID 142490833
2-acetamido-3-(2-methoxyphenoxy)propanoic acid
CID 65443160
2-acetamido-3-(2-chloro-5-fluorophenoxy)propanoic acid
CID 114264196
2-acetamido-3-(2-iodophenoxy)propanoic acid
CID 65443376
3-(2-chlorophenoxy)-2-[(2-methylpropan-2-yl)oxycarbonylamino]propanoic acid
CID 118862711
2-acetamido-3-(2-methylsulfanylphenoxy)propanoic acid
CID 65441415
2-acetamido-3-[2-(trifluoromethyl)phenoxy]propanoic acid
CID 65442776
2-acetamido-3-(2-bromo-4-chlorophenoxy)propanoic acid
CID 65441782
2-acetamido-3-(2-prop-2-enylphenoxy)propanoic acid
CID 65442202
methyl 2-acetamido-3-(2-methoxyphenoxy)propanoate
CID 65442964
2-acetamido-3-(4-fluorophenoxy)propanoic acid
CID 65442176

Frequently Asked Questions

What is the IUPAC name of 2-acetamido-3-(2-chlorophenoxy)propanoic acid?
The IUPAC name of 2-acetamido-3-(2-chlorophenoxy)propanoic acid (CID 65443959) is 2-acetamido-3-(2-chlorophenoxy)propanoic acid.
What is the SMILES notation for 2-acetamido-3-(2-chlorophenoxy)propanoic acid?
The canonical SMILES for 2-acetamido-3-(2-chlorophenoxy)propanoic acid is CC(=O)NC(COc1ccccc1Cl)C(=O)O.
What is the InChIKey of 2-acetamido-3-(2-chlorophenoxy)propanoic acid?
The InChIKey is FUXTYDBXOOBFCP-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H12ClNO4/c1-7(14)13-9(11(15)16)6-17-10-5-3-2-4-8(10)12/h2-5,9H,6H2,1H3,(H,13,14)(H,15,16).
What are the key properties of 2-acetamido-3-(2-chlorophenoxy)propanoic acid?
2-acetamido-3-(2-chlorophenoxy)propanoic acid has a molecular weight of 257.67 g/mol, XLogP of 1.31, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-acetamido-3-(2-chlorophenoxy)propanoic acid is sourced from PubChem (CID 65443959), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).