[2-(furan-2-ylmethylamino)-2-oxoethyl] 2-hydroxybenzoate

C14H13NO5 — CID 2352610

IUPAC[2-(furan-2-ylmethylamino)-2-oxoethyl] 2-hydroxybenzoate
SMILESO=C(COC(=O)c1ccccc1O)NCc1ccco1
InChIInChI=1S/C14H13NO5/c16-12-6-2-1-5-11(12)14(18)20-9-13(17)15-8-10-4-3-7-19-10/h1-7,16H,8-9H2,(H,15,17)
InChIKeyQOJOPFOHBCGESI-UHFFFAOYSA-N
MW275.26 g/mol
LogP1.46
Rot. Bonds5

About [2-(furan-2-ylmethylamino)-2-oxoethyl] 2-hydroxybenzoate

[2-(furan-2-ylmethylamino)-2-oxoethyl] 2-hydroxybenzoate (PubChem CID 2352610) has the molecular formula C14H13NO5 and a molecular weight of 275.26 g/mol. Its IUPAC name is [2-(furan-2-ylmethylamino)-2-oxoethyl] 2-hydroxybenzoate.

Molecular Properties

Compound Name[2-(furan-2-ylmethylamino)-2-oxoethyl] 2-hydroxybenzoate
PubChem CID2352610
Molecular FormulaC14H13NO5
Molecular Weight275.26 g/mol
Exact Mass275.08
IUPAC Name[2-(furan-2-ylmethylamino)-2-oxoethyl] 2-hydroxybenzoate
SMILESO=C(COC(=O)c1ccccc1O)NCc1ccco1
InChIInChI=1S/C14H13NO5/c16-12-6-2-1-5-11(12)14(18)20-9-13(17)15-8-10-4-3-7-19-10/h1-7,16H,8-9H2,(H,15,17)
InChIKeyQOJOPFOHBCGESI-UHFFFAOYSA-N
XLogP1.46
TPSA88.77 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500275.26
LogP ≤ 51.46
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of [2-(furan-2-ylmethylamino)-2-oxoethyl] 2-hydroxybenzoate?
The IUPAC name of [2-(furan-2-ylmethylamino)-2-oxoethyl] 2-hydroxybenzoate (CID 2352610) is [2-(furan-2-ylmethylamino)-2-oxoethyl] 2-hydroxybenzoate.
What is the SMILES notation for [2-(furan-2-ylmethylamino)-2-oxoethyl] 2-hydroxybenzoate?
The canonical SMILES for [2-(furan-2-ylmethylamino)-2-oxoethyl] 2-hydroxybenzoate is O=C(COC(=O)c1ccccc1O)NCc1ccco1.
What is the InChIKey of [2-(furan-2-ylmethylamino)-2-oxoethyl] 2-hydroxybenzoate?
The InChIKey is QOJOPFOHBCGESI-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H13NO5/c16-12-6-2-1-5-11(12)14(18)20-9-13(17)15-8-10-4-3-7-19-10/h1-7,16H,8-9H2,(H,15,17).
What are the key properties of [2-(furan-2-ylmethylamino)-2-oxoethyl] 2-hydroxybenzoate?
[2-(furan-2-ylmethylamino)-2-oxoethyl] 2-hydroxybenzoate has a molecular weight of 275.26 g/mol, XLogP of 1.46, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [2-(furan-2-ylmethylamino)-2-oxoethyl] 2-hydroxybenzoate is sourced from PubChem (CID 2352610), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).