2-(2-methoxycarbonylphenoxy)propanoic acid

C11H12O5 — CID 117053908

IUPAC2-(2-methoxycarbonylphenoxy)propanoic acid
SMILESCOC(=O)c1ccccc1OC(C)C(=O)O
InChIInChI=1S/C11H12O5/c1-7(10(12)13)16-9-6-4-3-5-8(9)11(14)15-2/h3-7H,1-2H3,(H,12,13)
InChIKeyWBHLEFMMCOZNSB-UHFFFAOYSA-N
MW224.21 g/mol
LogP1.33
Rot. Bonds4

About 2-(2-methoxycarbonylphenoxy)propanoic acid

2-(2-methoxycarbonylphenoxy)propanoic acid (PubChem CID 117053908) has the molecular formula C11H12O5 and a molecular weight of 224.21 g/mol. Its IUPAC name is 2-(2-methoxycarbonylphenoxy)propanoic acid.

Molecular Properties

Compound Name2-(2-methoxycarbonylphenoxy)propanoic acid
PubChem CID117053908
Molecular FormulaC11H12O5
Molecular Weight224.21 g/mol
Exact Mass224.07
IUPAC Name2-(2-methoxycarbonylphenoxy)propanoic acid
SMILESCOC(=O)c1ccccc1OC(C)C(=O)O
InChIInChI=1S/C11H12O5/c1-7(10(12)13)16-9-6-4-3-5-8(9)11(14)15-2/h3-7H,1-2H3,(H,12,13)
InChIKeyWBHLEFMMCOZNSB-UHFFFAOYSA-N
XLogP1.33
TPSA72.83 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500224.21
LogP ≤ 51.33
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze 2-(2-methoxycarbonylphenoxy)propanoic acid with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

2-(4-amino-2-methoxycarbonylphenoxy)propanoic acid
CID 106955759
ethane;methyl 2-methoxybenzoate
CID 178037044
2-(2-methoxycarbonylphenoxy)benzoic acid
CID 166513979
di(113C)methyl benzene-1,2-dicarboxylate
CID 131668060
2-(2-ethoxyphenoxy)propanoic acid
CID 16771653
methyl 2-(2-chloropropanoyloxy)benzoate
CID 151617516
dimethyl benzene-1,2-dicarboxylate;methane
CID 161056666
methyl 2-[2-[2-(2-methoxycarbonylphenoxy)ethoxy]ethoxy]benzoate
CID 15209322
methyl 2-[(2-methoxycarbonylphenoxy)-phenylphosphanyl]oxybenzoate
CID 12930619
methyl 2-[[4-[(2-methoxycarbonylphenoxy)methyl]phenyl]methoxy]benzoate
CID 14323673
methyl 2-(2-hydroxyphenoxy)carbonyloxybenzoate
CID 69027946
methyl 2-(4-methoxybut-2-enoxy)benzoate
CID 54063780

Frequently Asked Questions

What is the IUPAC name of 2-(2-methoxycarbonylphenoxy)propanoic acid?
The IUPAC name of 2-(2-methoxycarbonylphenoxy)propanoic acid (CID 117053908) is 2-(2-methoxycarbonylphenoxy)propanoic acid.
What is the SMILES notation for 2-(2-methoxycarbonylphenoxy)propanoic acid?
The canonical SMILES for 2-(2-methoxycarbonylphenoxy)propanoic acid is COC(=O)c1ccccc1OC(C)C(=O)O.
What is the InChIKey of 2-(2-methoxycarbonylphenoxy)propanoic acid?
The InChIKey is WBHLEFMMCOZNSB-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H12O5/c1-7(10(12)13)16-9-6-4-3-5-8(9)11(14)15-2/h3-7H,1-2H3,(H,12,13).
What are the key properties of 2-(2-methoxycarbonylphenoxy)propanoic acid?
2-(2-methoxycarbonylphenoxy)propanoic acid has a molecular weight of 224.21 g/mol, XLogP of 1.33, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-methoxycarbonylphenoxy)propanoic acid is sourced from PubChem (CID 117053908), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).