2-[3-(carboxymethyl)phenyl]acetic acid

C10H10O4 — CID 29788

IUPAC2-[3-(carboxymethyl)phenyl]acetic acid
SMILESO=C(O)Cc1cccc(CC(=O)O)c1
InChIInChI=1S/C10H10O4/c11-9(12)5-7-2-1-3-8(4-7)6-10(13)14/h1-4H,5-6H2,(H,11,12)(H,13,14)
InChIKeyGDYYIJNDPMFMTB-UHFFFAOYSA-N
MW194.19 g/mol
LogP0.94
Rot. Bonds4

About 2-[3-(carboxymethyl)phenyl]acetic acid

2-[3-(carboxymethyl)phenyl]acetic acid (PubChem CID 29788) has the molecular formula C10H10O4 and a molecular weight of 194.19 g/mol. Its IUPAC name is 2-[3-(carboxymethyl)phenyl]acetic acid.

Molecular Properties

Compound Name2-[3-(carboxymethyl)phenyl]acetic acid
PubChem CID29788
Molecular FormulaC10H10O4
Molecular Weight194.19 g/mol
Exact Mass194.06
IUPAC Name2-[3-(carboxymethyl)phenyl]acetic acid
SMILESO=C(O)Cc1cccc(CC(=O)O)c1
InChIInChI=1S/C10H10O4/c11-9(12)5-7-2-1-3-8(4-7)6-10(13)14/h1-4H,5-6H2,(H,11,12)(H,13,14)
InChIKeyGDYYIJNDPMFMTB-UHFFFAOYSA-N
XLogP0.94
TPSA74.60 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500194.19
LogP ≤ 50.94
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 2-[3-(carboxymethyl)phenyl]acetic acid?
The IUPAC name of 2-[3-(carboxymethyl)phenyl]acetic acid (CID 29788) is 2-[3-(carboxymethyl)phenyl]acetic acid.
What is the SMILES notation for 2-[3-(carboxymethyl)phenyl]acetic acid?
The canonical SMILES for 2-[3-(carboxymethyl)phenyl]acetic acid is O=C(O)Cc1cccc(CC(=O)O)c1.
What is the InChIKey of 2-[3-(carboxymethyl)phenyl]acetic acid?
The InChIKey is GDYYIJNDPMFMTB-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H10O4/c11-9(12)5-7-2-1-3-8(4-7)6-10(13)14/h1-4H,5-6H2,(H,11,12)(H,13,14).
What are the key properties of 2-[3-(carboxymethyl)phenyl]acetic acid?
2-[3-(carboxymethyl)phenyl]acetic acid has a molecular weight of 194.19 g/mol, XLogP of 0.94, 4 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[3-(carboxymethyl)phenyl]acetic acid is sourced from PubChem (CID 29788), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).