5-(carboxymethoxy)-2-[2-(carboxymethoxy)ethoxy]benzoic acid

C13H14O9 — CID 59205623

IUPAC5-(carboxymethoxy)-2-[2-(carboxymethoxy)ethoxy]benzoic acid
SMILESO=C(O)COCCOc1ccc(OCC(=O)O)cc1C(=O)O
InChIInChI=1S/C13H14O9/c14-11(15)6-20-3-4-21-10-2-1-8(22-7-12(16)17)5-9(10)13(18)19/h1-2,5H,3-4,6-7H2,(H,14,15)(H,16,17)(H,18,19)
InChIKeyMGQPAKYGCQDZOX-UHFFFAOYSA-N
MW314.25 g/mol
LogP0.33
Rot. Bonds10

About 5-(carboxymethoxy)-2-[2-(carboxymethoxy)ethoxy]benzoic acid

5-(carboxymethoxy)-2-[2-(carboxymethoxy)ethoxy]benzoic acid (PubChem CID 59205623) has the molecular formula C13H14O9 and a molecular weight of 314.25 g/mol. Its IUPAC name is 5-(carboxymethoxy)-2-[2-(carboxymethoxy)ethoxy]benzoic acid.

Molecular Properties

Compound Name5-(carboxymethoxy)-2-[2-(carboxymethoxy)ethoxy]benzoic acid
PubChem CID59205623
Molecular FormulaC13H14O9
Molecular Weight314.25 g/mol
Exact Mass314.06
IUPAC Name5-(carboxymethoxy)-2-[2-(carboxymethoxy)ethoxy]benzoic acid
SMILESO=C(O)COCCOc1ccc(OCC(=O)O)cc1C(=O)O
InChIInChI=1S/C13H14O9/c14-11(15)6-20-3-4-21-10-2-1-8(22-7-12(16)17)5-9(10)13(18)19/h1-2,5H,3-4,6-7H2,(H,14,15)(H,16,17)(H,18,19)
InChIKeyMGQPAKYGCQDZOX-UHFFFAOYSA-N
XLogP0.33
TPSA139.59 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds10
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500314.25
LogP ≤ 50.33
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

2-[2-[4-[2-(carboxymethoxy)ethoxy]phenoxy]ethoxy]acetic acid
CID 15307009
2,5-bis(2,2,2-tribromoethoxy)benzoic acid
CID 23054238
2,5-didodecoxybenzoic acid
CID 168826367
2-(carboxymethoxy)-5-fluorobenzoic acid
CID 13013035
2-butoxy-5-methoxybenzoic acid
CID 43213162
2-(3-hydroxypropoxy)-5-methoxybenzoic acid
CID 60693366
2,4-bis[2-[2-(4-carboxyphenoxy)ethoxy]ethoxy]benzoic acid
CID 86193789
5-bromo-2-(2-ethoxyethoxy)benzoic acid
CID 43387801
2-[3-methoxy-4-[2-[2-[2-(11-sulfanylundecoxy)ethoxy]ethoxy]ethoxy]phenoxy]acetic acid
CID 24995430
2-amino-5-[2-(4-bromophenoxy)ethoxy]benzoic acid
CID 107077092
2-[2-(2-hydroxyethoxy)ethoxy]-5-iodobenzoic acid
CID 82995027
2-[2-[2-(2-carboxyphenoxy)ethoxy]ethoxy]benzoic acid
CID 2215647

Frequently Asked Questions

What is the IUPAC name of 5-(carboxymethoxy)-2-[2-(carboxymethoxy)ethoxy]benzoic acid?
The IUPAC name of 5-(carboxymethoxy)-2-[2-(carboxymethoxy)ethoxy]benzoic acid (CID 59205623) is 5-(carboxymethoxy)-2-[2-(carboxymethoxy)ethoxy]benzoic acid.
What is the SMILES notation for 5-(carboxymethoxy)-2-[2-(carboxymethoxy)ethoxy]benzoic acid?
The canonical SMILES for 5-(carboxymethoxy)-2-[2-(carboxymethoxy)ethoxy]benzoic acid is O=C(O)COCCOc1ccc(OCC(=O)O)cc1C(=O)O.
What is the InChIKey of 5-(carboxymethoxy)-2-[2-(carboxymethoxy)ethoxy]benzoic acid?
The InChIKey is MGQPAKYGCQDZOX-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H14O9/c14-11(15)6-20-3-4-21-10-2-1-8(22-7-12(16)17)5-9(10)13(18)19/h1-2,5H,3-4,6-7H2,(H,14,15)(H,16,17)(H,18,19).
What are the key properties of 5-(carboxymethoxy)-2-[2-(carboxymethoxy)ethoxy]benzoic acid?
5-(carboxymethoxy)-2-[2-(carboxymethoxy)ethoxy]benzoic acid has a molecular weight of 314.25 g/mol, XLogP of 0.33, 10 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(carboxymethoxy)-2-[2-(carboxymethoxy)ethoxy]benzoic acid is sourced from PubChem (CID 59205623), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).