2-[2-[5-(aminomethyl)furan-2-yl]-3,5-dihydroxyphenyl]acetic acid

C13H13NO5 — CID 90780025

IUPAC2-[2-[5-(aminomethyl)furan-2-yl]-3,5-dihydroxyphenyl]acetic acid
SMILESNCc1ccc(-c2c(O)cc(O)cc2CC(=O)O)o1
InChIInChI=1S/C13H13NO5/c14-6-9-1-2-11(19-9)13-7(4-12(17)18)3-8(15)5-10(13)16/h1-3,5,15-16H,4,6,14H2,(H,17,18)
InChIKeyZGEATSKMXAWBHW-UHFFFAOYSA-N
MW263.25 g/mol
LogP1.44
Rot. Bonds4

About 2-[2-[5-(aminomethyl)furan-2-yl]-3,5-dihydroxyphenyl]acetic acid

2-[2-[5-(aminomethyl)furan-2-yl]-3,5-dihydroxyphenyl]acetic acid (PubChem CID 90780025) has the molecular formula C13H13NO5 and a molecular weight of 263.25 g/mol. Its IUPAC name is 2-[2-[5-(aminomethyl)furan-2-yl]-3,5-dihydroxyphenyl]acetic acid.

Molecular Properties

Compound Name2-[2-[5-(aminomethyl)furan-2-yl]-3,5-dihydroxyphenyl]acetic acid
PubChem CID90780025
Molecular FormulaC13H13NO5
Molecular Weight263.25 g/mol
Exact Mass263.08
IUPAC Name2-[2-[5-(aminomethyl)furan-2-yl]-3,5-dihydroxyphenyl]acetic acid
SMILESNCc1ccc(-c2c(O)cc(O)cc2CC(=O)O)o1
InChIInChI=1S/C13H13NO5/c14-6-9-1-2-11(19-9)13-7(4-12(17)18)3-8(15)5-10(13)16/h1-3,5,15-16H,4,6,14H2,(H,17,18)
InChIKeyZGEATSKMXAWBHW-UHFFFAOYSA-N
XLogP1.44
TPSA116.92 Ų
H-Bond Donors4
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500263.25
LogP ≤ 51.44
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 2-[2-[5-(aminomethyl)furan-2-yl]-3,5-dihydroxyphenyl]acetic acid?
The IUPAC name of 2-[2-[5-(aminomethyl)furan-2-yl]-3,5-dihydroxyphenyl]acetic acid (CID 90780025) is 2-[2-[5-(aminomethyl)furan-2-yl]-3,5-dihydroxyphenyl]acetic acid.
What is the SMILES notation for 2-[2-[5-(aminomethyl)furan-2-yl]-3,5-dihydroxyphenyl]acetic acid?
The canonical SMILES for 2-[2-[5-(aminomethyl)furan-2-yl]-3,5-dihydroxyphenyl]acetic acid is NCc1ccc(-c2c(O)cc(O)cc2CC(=O)O)o1.
What is the InChIKey of 2-[2-[5-(aminomethyl)furan-2-yl]-3,5-dihydroxyphenyl]acetic acid?
The InChIKey is ZGEATSKMXAWBHW-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H13NO5/c14-6-9-1-2-11(19-9)13-7(4-12(17)18)3-8(15)5-10(13)16/h1-3,5,15-16H,4,6,14H2,(H,17,18).
What are the key properties of 2-[2-[5-(aminomethyl)furan-2-yl]-3,5-dihydroxyphenyl]acetic acid?
2-[2-[5-(aminomethyl)furan-2-yl]-3,5-dihydroxyphenyl]acetic acid has a molecular weight of 263.25 g/mol, XLogP of 1.44, 4 rotatable bonds, 4 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-[5-(aminomethyl)furan-2-yl]-3,5-dihydroxyphenyl]acetic acid is sourced from PubChem (CID 90780025), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).