2-methoxycarbonyl-4-(2-methoxyphenoxy)butanoic acid

C13H16O6 — CID 103973316

IUPAC2-methoxycarbonyl-4-(2-methoxyphenoxy)butanoic acid
SMILESCOC(=O)C(CCOc1ccccc1OC)C(=O)O
InChIInChI=1S/C13H16O6/c1-17-10-5-3-4-6-11(10)19-8-7-9(12(14)15)13(16)18-2/h3-6,9H,7-8H2,1-2H3,(H,14,15)
InChIKeyZFJCVDWDXGOVEG-UHFFFAOYSA-N
MW268.26 g/mol
LogP1.34
Rot. Bonds7

About 2-methoxycarbonyl-4-(2-methoxyphenoxy)butanoic acid

2-methoxycarbonyl-4-(2-methoxyphenoxy)butanoic acid (PubChem CID 103973316) has the molecular formula C13H16O6 and a molecular weight of 268.26 g/mol. Its IUPAC name is 2-methoxycarbonyl-4-(2-methoxyphenoxy)butanoic acid.

Molecular Properties

Compound Name2-methoxycarbonyl-4-(2-methoxyphenoxy)butanoic acid
PubChem CID103973316
Molecular FormulaC13H16O6
Molecular Weight268.26 g/mol
Exact Mass268.09
IUPAC Name2-methoxycarbonyl-4-(2-methoxyphenoxy)butanoic acid
SMILESCOC(=O)C(CCOc1ccccc1OC)C(=O)O
InChIInChI=1S/C13H16O6/c1-17-10-5-3-4-6-11(10)19-8-7-9(12(14)15)13(16)18-2/h3-6,9H,7-8H2,1-2H3,(H,14,15)
InChIKeyZFJCVDWDXGOVEG-UHFFFAOYSA-N
XLogP1.34
TPSA82.06 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500268.26
LogP ≤ 51.34
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'beta-keto/anhydride', 'substructure': 'N/A'}

Analyze 2-methoxycarbonyl-4-(2-methoxyphenoxy)butanoic 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-(ethylamino)-4-(2-methoxyphenoxy)butanoic acid
CID 63041236
dimethyl 2-[2-[4-(4-methoxy-3-methoxycarbonyl-4-oxobutoxy)naphthalen-1-yl]oxyethyl]propanedioate
CID 175948791
2-[2-(2-methoxyphenoxy)ethyl]-3,3-dimethylbutanoic acid
CID 83136429
2-(2-methoxyphenoxy)ethyl carbamate
CID 54433856
methyl 2-iodo-3-[2-(2-methoxyphenoxy)ethylamino]propanoate
CID 103492017
ethyl 4-(2-methoxyphenoxy)-2-(propan-2-ylamino)butanoate
CID 63039911
ethyl 4-(2-methoxyphenoxy)-2-(propylamino)butanoate
CID 63041590
1-[4-chloro-3-(chloromethyl)butoxy]-2-methoxybenzene
CID 79447279
3-(2-methoxyphenoxy)-2-methylpropanoic acid
CID 43537701
4-(2-methoxyphenoxy)-2-methylbutan-1-ol
CID 66060440
1-(2-methoxyphenoxy)pentan-3-ol
CID 112501425
N-[2-(2-methoxyphenoxy)ethyl]-2-methylpropanamide
CID 113099759

Frequently Asked Questions

What is the IUPAC name of 2-methoxycarbonyl-4-(2-methoxyphenoxy)butanoic acid?
The IUPAC name of 2-methoxycarbonyl-4-(2-methoxyphenoxy)butanoic acid (CID 103973316) is 2-methoxycarbonyl-4-(2-methoxyphenoxy)butanoic acid.
What is the SMILES notation for 2-methoxycarbonyl-4-(2-methoxyphenoxy)butanoic acid?
The canonical SMILES for 2-methoxycarbonyl-4-(2-methoxyphenoxy)butanoic acid is COC(=O)C(CCOc1ccccc1OC)C(=O)O.
What is the InChIKey of 2-methoxycarbonyl-4-(2-methoxyphenoxy)butanoic acid?
The InChIKey is ZFJCVDWDXGOVEG-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H16O6/c1-17-10-5-3-4-6-11(10)19-8-7-9(12(14)15)13(16)18-2/h3-6,9H,7-8H2,1-2H3,(H,14,15).
What are the key properties of 2-methoxycarbonyl-4-(2-methoxyphenoxy)butanoic acid?
2-methoxycarbonyl-4-(2-methoxyphenoxy)butanoic acid has a molecular weight of 268.26 g/mol, XLogP of 1.34, 7 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methoxycarbonyl-4-(2-methoxyphenoxy)butanoic acid is sourced from PubChem (CID 103973316), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).