2-[2-(2-carboxyethyl)phenyl]propanoic acid

C12H14O4 — CID 18790695

IUPAC2-[2-(2-carboxyethyl)phenyl]propanoic acid
SMILESCC(C(=O)O)c1ccccc1CCC(=O)O
InChIInChI=1S/C12H14O4/c1-8(12(15)16)10-5-3-2-4-9(10)6-7-11(13)14/h2-5,8H,6-7H2,1H3,(H,13,14)(H,15,16)
InChIKeyRIGWAJTUKHIMPQ-UHFFFAOYSA-N
MW222.24 g/mol
LogP1.89
Rot. Bonds5

About 2-[2-(2-carboxyethyl)phenyl]propanoic acid

2-[2-(2-carboxyethyl)phenyl]propanoic acid (PubChem CID 18790695) has the molecular formula C12H14O4 and a molecular weight of 222.24 g/mol. Its IUPAC name is 2-[2-(2-carboxyethyl)phenyl]propanoic acid.

Molecular Properties

Compound Name2-[2-(2-carboxyethyl)phenyl]propanoic acid
PubChem CID18790695
Molecular FormulaC12H14O4
Molecular Weight222.24 g/mol
Exact Mass222.09
IUPAC Name2-[2-(2-carboxyethyl)phenyl]propanoic acid
SMILESCC(C(=O)O)c1ccccc1CCC(=O)O
InChIInChI=1S/C12H14O4/c1-8(12(15)16)10-5-3-2-4-9(10)6-7-11(13)14/h2-5,8H,6-7H2,1H3,(H,13,14)(H,15,16)
InChIKeyRIGWAJTUKHIMPQ-UHFFFAOYSA-N
XLogP1.89
TPSA74.60 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500222.24
LogP ≤ 51.89
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

2-[2-(2-fluoroethyl)phenyl]propanoic acid
CID 84666825
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CID 18434881
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CID 58591852
2-[2-[(2-chlorophenyl)methyl]phenyl]propanoic acid
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2-(2-propan-2-ylphenyl)propanoic acid
CID 66999361
3-[2-[2,3-di(propan-2-yl)phenoxy]phenyl]propanoic acid
CID 57261152
3-[2-(2-methylpropoxy)phenyl]propanoic acid
CID 82161462
2-[2-[4-(2-methylimidazol-1-yl)butyl]phenyl]propanoic acid
CID 22987134
3-[2-(2-sulfanylethyl)phenyl]propanoic acid
CID 130239903
3-(2-fluorophenyl)propanoic acid
CID 2063866
2-(2-propan-2-ylphenyl)acetic acid;hydrochloride
CID 70396456
2-[2-(4-carboxybutyl)phenyl]pentanoic acid
CID 139936646

Frequently Asked Questions

What is the IUPAC name of 2-[2-(2-carboxyethyl)phenyl]propanoic acid?
The IUPAC name of 2-[2-(2-carboxyethyl)phenyl]propanoic acid (CID 18790695) is 2-[2-(2-carboxyethyl)phenyl]propanoic acid.
What is the SMILES notation for 2-[2-(2-carboxyethyl)phenyl]propanoic acid?
The canonical SMILES for 2-[2-(2-carboxyethyl)phenyl]propanoic acid is CC(C(=O)O)c1ccccc1CCC(=O)O.
What is the InChIKey of 2-[2-(2-carboxyethyl)phenyl]propanoic acid?
The InChIKey is RIGWAJTUKHIMPQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H14O4/c1-8(12(15)16)10-5-3-2-4-9(10)6-7-11(13)14/h2-5,8H,6-7H2,1H3,(H,13,14)(H,15,16).
What are the key properties of 2-[2-(2-carboxyethyl)phenyl]propanoic acid?
2-[2-(2-carboxyethyl)phenyl]propanoic acid has a molecular weight of 222.24 g/mol, XLogP of 1.89, 5 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-(2-carboxyethyl)phenyl]propanoic acid is sourced from PubChem (CID 18790695), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).