4-[2-(5-amino-4-methoxycarbonylfuran-3-yl)ethyl]benzoic acid

C15H15NO5 — CID 67881333

IUPAC4-[2-(5-amino-4-methoxycarbonylfuran-3-yl)ethyl]benzoic acid
SMILESCOC(=O)c1c(CCc2ccc(C(=O)O)cc2)coc1N
InChIInChI=1S/C15H15NO5/c1-20-15(19)12-11(8-21-13(12)16)7-4-9-2-5-10(6-3-9)14(17)18/h2-3,5-6,8H,4,7,16H2,1H3,(H,17,18)
InChIKeyRPWNPZMMYVDBIH-UHFFFAOYSA-N
MW289.29 g/mol
LogP2.13
Rot. Bonds5

About 4-[2-(5-amino-4-methoxycarbonylfuran-3-yl)ethyl]benzoic acid

4-[2-(5-amino-4-methoxycarbonylfuran-3-yl)ethyl]benzoic acid (PubChem CID 67881333) has the molecular formula C15H15NO5 and a molecular weight of 289.29 g/mol. Its IUPAC name is 4-[2-(5-amino-4-methoxycarbonylfuran-3-yl)ethyl]benzoic acid.

Molecular Properties

Compound Name4-[2-(5-amino-4-methoxycarbonylfuran-3-yl)ethyl]benzoic acid
PubChem CID67881333
Molecular FormulaC15H15NO5
Molecular Weight289.29 g/mol
Exact Mass289.10
IUPAC Name4-[2-(5-amino-4-methoxycarbonylfuran-3-yl)ethyl]benzoic acid
SMILESCOC(=O)c1c(CCc2ccc(C(=O)O)cc2)coc1N
InChIInChI=1S/C15H15NO5/c1-20-15(19)12-11(8-21-13(12)16)7-4-9-2-5-10(6-3-9)14(17)18/h2-3,5-6,8H,4,7,16H2,1H3,(H,17,18)
InChIKeyRPWNPZMMYVDBIH-UHFFFAOYSA-N
XLogP2.13
TPSA102.76 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500289.29
LogP ≤ 52.13
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

methyl 2-amino-4-[3-(4-methoxycarbonylphenyl)propyl]furan-3-carboxylate
CID 19788710
methyl 2-amino-4-[3-(4-ethoxycarbonylphenyl)propyl]furan-3-carboxylate
CID 19788703
4-[2-[3-[2-(4-carboxyphenyl)ethyl]-5-methoxyphenyl]ethyl]benzoic acid
CID 171715372
4-(3,3-dimethoxypropyl)benzoic acid
CID 21477511
CID 67391169
CID 67391169
dimethyl benzene-1,4-dicarboxylate;methanol;terephthalic acid
CID 159205173
methyl 4-[2-(4-amino-7-methylpyrrolo[2,3-d]pyrimidin-5-yl)ethyl]benzoate
CID 67940651
4-(3-methoxybutyl)benzoic acid
CID 117111500
methyl 4-[3-(4-methoxycarbonylphenyl)propyl]benzoate
CID 4063050
dimethyl benzene-1,4-dicarboxylate;ethane-1,2-diol;terephthalic acid
CID 174780069
3-(4-methoxycarbonylphenyl)propanoic acid
CID 22716688
4-[2-(4-methoxycarbonylphenyl)-2-oxoacetyl]benzoic acid
CID 170457455

Frequently Asked Questions

What is the IUPAC name of 4-[2-(5-amino-4-methoxycarbonylfuran-3-yl)ethyl]benzoic acid?
The IUPAC name of 4-[2-(5-amino-4-methoxycarbonylfuran-3-yl)ethyl]benzoic acid (CID 67881333) is 4-[2-(5-amino-4-methoxycarbonylfuran-3-yl)ethyl]benzoic acid.
What is the SMILES notation for 4-[2-(5-amino-4-methoxycarbonylfuran-3-yl)ethyl]benzoic acid?
The canonical SMILES for 4-[2-(5-amino-4-methoxycarbonylfuran-3-yl)ethyl]benzoic acid is COC(=O)c1c(CCc2ccc(C(=O)O)cc2)coc1N.
What is the InChIKey of 4-[2-(5-amino-4-methoxycarbonylfuran-3-yl)ethyl]benzoic acid?
The InChIKey is RPWNPZMMYVDBIH-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H15NO5/c1-20-15(19)12-11(8-21-13(12)16)7-4-9-2-5-10(6-3-9)14(17)18/h2-3,5-6,8H,4,7,16H2,1H3,(H,17,18).
What are the key properties of 4-[2-(5-amino-4-methoxycarbonylfuran-3-yl)ethyl]benzoic acid?
4-[2-(5-amino-4-methoxycarbonylfuran-3-yl)ethyl]benzoic acid has a molecular weight of 289.29 g/mol, XLogP of 2.13, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[2-(5-amino-4-methoxycarbonylfuran-3-yl)ethyl]benzoic acid is sourced from PubChem (CID 67881333), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).