2-[4-(carboxymethyl)phenyl]-2-methylpropanoic acid

C12H14O4 — CID 70014779

IUPAC2-[4-(carboxymethyl)phenyl]-2-methylpropanoic acid
SMILESCC(C)(C(=O)O)c1ccc(CC(=O)O)cc1
InChIInChI=1S/C12H14O4/c1-12(2,11(15)16)9-5-3-8(4-6-9)7-10(13)14/h3-6H,7H2,1-2H3,(H,13,14)(H,15,16)
InChIKeyZGOVDJDLOGPTTH-UHFFFAOYSA-N
MW222.24 g/mol
LogP1.68
Rot. Bonds4

About 2-[4-(carboxymethyl)phenyl]-2-methylpropanoic acid

2-[4-(carboxymethyl)phenyl]-2-methylpropanoic acid (PubChem CID 70014779) has the molecular formula C12H14O4 and a molecular weight of 222.24 g/mol. Its IUPAC name is 2-[4-(carboxymethyl)phenyl]-2-methylpropanoic acid.

Molecular Properties

Compound Name2-[4-(carboxymethyl)phenyl]-2-methylpropanoic acid
PubChem CID70014779
Molecular FormulaC12H14O4
Molecular Weight222.24 g/mol
Exact Mass222.09
IUPAC Name2-[4-(carboxymethyl)phenyl]-2-methylpropanoic acid
SMILESCC(C)(C(=O)O)c1ccc(CC(=O)O)cc1
InChIInChI=1S/C12H14O4/c1-12(2,11(15)16)9-5-3-8(4-6-9)7-10(13)14/h3-6H,7H2,1-2H3,(H,13,14)(H,15,16)
InChIKeyZGOVDJDLOGPTTH-UHFFFAOYSA-N
XLogP1.68
TPSA74.60 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500222.24
LogP ≤ 51.68
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 2-[4-(carboxymethyl)phenyl]-2-methylpropanoic acid?
The IUPAC name of 2-[4-(carboxymethyl)phenyl]-2-methylpropanoic acid (CID 70014779) is 2-[4-(carboxymethyl)phenyl]-2-methylpropanoic acid.
What is the SMILES notation for 2-[4-(carboxymethyl)phenyl]-2-methylpropanoic acid?
The canonical SMILES for 2-[4-(carboxymethyl)phenyl]-2-methylpropanoic acid is CC(C)(C(=O)O)c1ccc(CC(=O)O)cc1.
What is the InChIKey of 2-[4-(carboxymethyl)phenyl]-2-methylpropanoic acid?
The InChIKey is ZGOVDJDLOGPTTH-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H14O4/c1-12(2,11(15)16)9-5-3-8(4-6-9)7-10(13)14/h3-6H,7H2,1-2H3,(H,13,14)(H,15,16).
What are the key properties of 2-[4-(carboxymethyl)phenyl]-2-methylpropanoic acid?
2-[4-(carboxymethyl)phenyl]-2-methylpropanoic acid has a molecular weight of 222.24 g/mol, XLogP of 1.68, 4 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-(carboxymethyl)phenyl]-2-methylpropanoic acid is sourced from PubChem (CID 70014779), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).