4-(aminomethyl)-5-ethylfuran-2-carboxylic acid

C8H11NO3 — CID 1093418

IUPAC4-(aminomethyl)-5-ethylfuran-2-carboxylic acid
SMILESCCc1oc(C(=O)O)cc1CN
InChIInChI=1S/C8H11NO3/c1-2-6-5(4-9)3-7(12-6)8(10)11/h3H,2,4,9H2,1H3,(H,10,11)
InChIKeyDOYXNBDGAXGGAK-UHFFFAOYSA-N
MW169.18 g/mol
LogP1.00
Rot. Bonds3

About 4-(aminomethyl)-5-ethylfuran-2-carboxylic acid

4-(aminomethyl)-5-ethylfuran-2-carboxylic acid (PubChem CID 1093418) has the molecular formula C8H11NO3 and a molecular weight of 169.18 g/mol. Its IUPAC name is 4-(aminomethyl)-5-ethylfuran-2-carboxylic acid.

Molecular Properties

Compound Name4-(aminomethyl)-5-ethylfuran-2-carboxylic acid
PubChem CID1093418
Molecular FormulaC8H11NO3
Molecular Weight169.18 g/mol
Exact Mass169.07
IUPAC Name4-(aminomethyl)-5-ethylfuran-2-carboxylic acid
SMILESCCc1oc(C(=O)O)cc1CN
InChIInChI=1S/C8H11NO3/c1-2-6-5(4-9)3-7(12-6)8(10)11/h3H,2,4,9H2,1H3,(H,10,11)
InChIKeyDOYXNBDGAXGGAK-UHFFFAOYSA-N
XLogP1.00
TPSA76.46 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500169.18
LogP ≤ 51.00
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 4-(aminomethyl)-5-ethylfuran-2-carboxylic acid?
The IUPAC name of 4-(aminomethyl)-5-ethylfuran-2-carboxylic acid (CID 1093418) is 4-(aminomethyl)-5-ethylfuran-2-carboxylic acid.
What is the SMILES notation for 4-(aminomethyl)-5-ethylfuran-2-carboxylic acid?
The canonical SMILES for 4-(aminomethyl)-5-ethylfuran-2-carboxylic acid is CCc1oc(C(=O)O)cc1CN.
What is the InChIKey of 4-(aminomethyl)-5-ethylfuran-2-carboxylic acid?
The InChIKey is DOYXNBDGAXGGAK-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H11NO3/c1-2-6-5(4-9)3-7(12-6)8(10)11/h3H,2,4,9H2,1H3,(H,10,11).
What are the key properties of 4-(aminomethyl)-5-ethylfuran-2-carboxylic acid?
4-(aminomethyl)-5-ethylfuran-2-carboxylic acid has a molecular weight of 169.18 g/mol, XLogP of 1.00, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(aminomethyl)-5-ethylfuran-2-carboxylic acid is sourced from PubChem (CID 1093418), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).