3-(4-methoxycarbonylphenyl)propanoic acid

C11H12O4 — CID 22716688

IUPAC3-(4-methoxycarbonylphenyl)propanoic acid
SMILESCOC(=O)c1ccc(CCC(=O)O)cc1
InChIInChI=1S/C11H12O4/c1-15-11(14)9-5-2-8(3-6-9)4-7-10(12)13/h2-3,5-6H,4,7H2,1H3,(H,12,13)
InChIKeyAEPLPTIERJSGES-UHFFFAOYSA-N
MW208.21 g/mol
LogP1.49
Rot. Bonds4

About 3-(4-methoxycarbonylphenyl)propanoic acid

3-(4-methoxycarbonylphenyl)propanoic acid (PubChem CID 22716688) has the molecular formula C11H12O4 and a molecular weight of 208.21 g/mol. Its IUPAC name is 3-(4-methoxycarbonylphenyl)propanoic acid.

Molecular Properties

Compound Name3-(4-methoxycarbonylphenyl)propanoic acid
PubChem CID22716688
Molecular FormulaC11H12O4
Molecular Weight208.21 g/mol
Exact Mass208.07
IUPAC Name3-(4-methoxycarbonylphenyl)propanoic acid
SMILESCOC(=O)c1ccc(CCC(=O)O)cc1
InChIInChI=1S/C11H12O4/c1-15-11(14)9-5-2-8(3-6-9)4-7-10(12)13/h2-3,5-6H,4,7H2,1H3,(H,12,13)
InChIKeyAEPLPTIERJSGES-UHFFFAOYSA-N
XLogP1.49
TPSA63.60 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500208.21
LogP ≤ 51.49
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

methyl 4-[3-(4-methoxycarbonylphenyl)propyl]benzoate
CID 4063050
2-(4-methoxycarbonylphenyl)acetic acid
CID 10797879
methyl 4-(3-phenylpropanoyl)benzoate
CID 11184731
methyl 4-[3-[(2-methylpropan-2-yl)oxy]-3-oxopropyl]benzoate
CID 59163123
4-[(4-methoxycarbonylphenyl)methylamino]butanoic acid
CID 60782858
3-[4-(2-methoxyethylcarbamoyl)phenyl]propanoic acid
CID 28760119
3-(4-methoxycarbonylphenyl)propylazanium
CID 154715672
methyl 4-(2-methoxypropyl)benzoate
CID 57294671
2-bromo-3-(4-methoxycarbonylphenyl)propanoic acid
CID 150848084
ethane;3-(4-ethylphenyl)propanoic acid;methoxyethane
CID 176991202
methyl 4-[4-(4-propylphenyl)phenyl]benzoate
CID 142331537
2-(4-methoxycarbonylphenyl)ethanesulfonic acid
CID 46835733

Frequently Asked Questions

What is the IUPAC name of 3-(4-methoxycarbonylphenyl)propanoic acid?
The IUPAC name of 3-(4-methoxycarbonylphenyl)propanoic acid (CID 22716688) is 3-(4-methoxycarbonylphenyl)propanoic acid.
What is the SMILES notation for 3-(4-methoxycarbonylphenyl)propanoic acid?
The canonical SMILES for 3-(4-methoxycarbonylphenyl)propanoic acid is COC(=O)c1ccc(CCC(=O)O)cc1.
What is the InChIKey of 3-(4-methoxycarbonylphenyl)propanoic acid?
The InChIKey is AEPLPTIERJSGES-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H12O4/c1-15-11(14)9-5-2-8(3-6-9)4-7-10(12)13/h2-3,5-6H,4,7H2,1H3,(H,12,13).
What are the key properties of 3-(4-methoxycarbonylphenyl)propanoic acid?
3-(4-methoxycarbonylphenyl)propanoic acid has a molecular weight of 208.21 g/mol, XLogP of 1.49, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(4-methoxycarbonylphenyl)propanoic acid is sourced from PubChem (CID 22716688), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).