2-(carboxymethyl)-5-methoxybenzoic acid

C10H10O5 — CID 2305423

IUPAC2-(carboxymethyl)-5-methoxybenzoic acid
SMILESCOc1ccc(CC(=O)O)c(C(=O)O)c1
InChIInChI=1S/C10H10O5/c1-15-7-3-2-6(4-9(11)12)8(5-7)10(13)14/h2-3,5H,4H2,1H3,(H,11,12)(H,13,14)
InChIKeyTUJHFMJYEXSKLS-UHFFFAOYSA-N
MW210.19 g/mol
LogP1.02
Rot. Bonds4

About 2-(carboxymethyl)-5-methoxybenzoic acid

2-(carboxymethyl)-5-methoxybenzoic acid (PubChem CID 2305423) has the molecular formula C10H10O5 and a molecular weight of 210.19 g/mol. Its IUPAC name is 2-(carboxymethyl)-5-methoxybenzoic acid.

Molecular Properties

Compound Name2-(carboxymethyl)-5-methoxybenzoic acid
PubChem CID2305423
Molecular FormulaC10H10O5
Molecular Weight210.19 g/mol
Exact Mass210.05
IUPAC Name2-(carboxymethyl)-5-methoxybenzoic acid
SMILESCOc1ccc(CC(=O)O)c(C(=O)O)c1
InChIInChI=1S/C10H10O5/c1-15-7-3-2-6(4-9(11)12)8(5-7)10(13)14/h2-3,5H,4H2,1H3,(H,11,12)(H,13,14)
InChIKeyTUJHFMJYEXSKLS-UHFFFAOYSA-N
XLogP1.02
TPSA83.83 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500210.19
LogP ≤ 51.02
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-(carboxymethyl)-5-methoxybenzoic acid?
The IUPAC name of 2-(carboxymethyl)-5-methoxybenzoic acid (CID 2305423) is 2-(carboxymethyl)-5-methoxybenzoic acid.
What is the SMILES notation for 2-(carboxymethyl)-5-methoxybenzoic acid?
The canonical SMILES for 2-(carboxymethyl)-5-methoxybenzoic acid is COc1ccc(CC(=O)O)c(C(=O)O)c1.
What is the InChIKey of 2-(carboxymethyl)-5-methoxybenzoic acid?
The InChIKey is TUJHFMJYEXSKLS-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H10O5/c1-15-7-3-2-6(4-9(11)12)8(5-7)10(13)14/h2-3,5H,4H2,1H3,(H,11,12)(H,13,14).
What are the key properties of 2-(carboxymethyl)-5-methoxybenzoic acid?
2-(carboxymethyl)-5-methoxybenzoic acid has a molecular weight of 210.19 g/mol, XLogP of 1.02, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(carboxymethyl)-5-methoxybenzoic acid is sourced from PubChem (CID 2305423), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).