methyl 2-[2-[5-(aminomethyl)furan-2-yl]-3,5-dihydroxyphenyl]acetate

C14H15NO5 — CID 69025265

IUPACmethyl 2-[2-[5-(aminomethyl)furan-2-yl]-3,5-dihydroxyphenyl]acetate
SMILESCOC(=O)Cc1cc(O)cc(O)c1-c1ccc(CN)o1
InChIInChI=1S/C14H15NO5/c1-19-13(18)5-8-4-9(16)6-11(17)14(8)12-3-2-10(7-15)20-12/h2-4,6,16-17H,5,7,15H2,1H3
InChIKeyOYFTTZDEVCHRPG-UHFFFAOYSA-N
MW277.28 g/mol
LogP1.53
Rot. Bonds4

About methyl 2-[2-[5-(aminomethyl)furan-2-yl]-3,5-dihydroxyphenyl]acetate

methyl 2-[2-[5-(aminomethyl)furan-2-yl]-3,5-dihydroxyphenyl]acetate (PubChem CID 69025265) has the molecular formula C14H15NO5 and a molecular weight of 277.28 g/mol. Its IUPAC name is methyl 2-[2-[5-(aminomethyl)furan-2-yl]-3,5-dihydroxyphenyl]acetate.

Molecular Properties

Compound Namemethyl 2-[2-[5-(aminomethyl)furan-2-yl]-3,5-dihydroxyphenyl]acetate
PubChem CID69025265
Molecular FormulaC14H15NO5
Molecular Weight277.28 g/mol
Exact Mass277.10
IUPAC Namemethyl 2-[2-[5-(aminomethyl)furan-2-yl]-3,5-dihydroxyphenyl]acetate
SMILESCOC(=O)Cc1cc(O)cc(O)c1-c1ccc(CN)o1
InChIInChI=1S/C14H15NO5/c1-19-13(18)5-8-4-9(16)6-11(17)14(8)12-3-2-10(7-15)20-12/h2-4,6,16-17H,5,7,15H2,1H3
InChIKeyOYFTTZDEVCHRPG-UHFFFAOYSA-N
XLogP1.53
TPSA105.92 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500277.28
LogP ≤ 51.53
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of methyl 2-[2-[5-(aminomethyl)furan-2-yl]-3,5-dihydroxyphenyl]acetate?
The IUPAC name of methyl 2-[2-[5-(aminomethyl)furan-2-yl]-3,5-dihydroxyphenyl]acetate (CID 69025265) is methyl 2-[2-[5-(aminomethyl)furan-2-yl]-3,5-dihydroxyphenyl]acetate.
What is the SMILES notation for methyl 2-[2-[5-(aminomethyl)furan-2-yl]-3,5-dihydroxyphenyl]acetate?
The canonical SMILES for methyl 2-[2-[5-(aminomethyl)furan-2-yl]-3,5-dihydroxyphenyl]acetate is COC(=O)Cc1cc(O)cc(O)c1-c1ccc(CN)o1.
What is the InChIKey of methyl 2-[2-[5-(aminomethyl)furan-2-yl]-3,5-dihydroxyphenyl]acetate?
The InChIKey is OYFTTZDEVCHRPG-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H15NO5/c1-19-13(18)5-8-4-9(16)6-11(17)14(8)12-3-2-10(7-15)20-12/h2-4,6,16-17H,5,7,15H2,1H3.
What are the key properties of methyl 2-[2-[5-(aminomethyl)furan-2-yl]-3,5-dihydroxyphenyl]acetate?
methyl 2-[2-[5-(aminomethyl)furan-2-yl]-3,5-dihydroxyphenyl]acetate has a molecular weight of 277.28 g/mol, XLogP of 1.53, 4 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 2-[2-[5-(aminomethyl)furan-2-yl]-3,5-dihydroxyphenyl]acetate is sourced from PubChem (CID 69025265), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).