5-[ethyl(furan-2-ylmethyl)amino]furan-2-carboxylic acid

C12H13NO4 — CID 62206025

IUPAC5-[ethyl(furan-2-ylmethyl)amino]furan-2-carboxylic acid
SMILESCCN(Cc1ccco1)c1ccc(C(=O)O)o1
InChIInChI=1S/C12H13NO4/c1-2-13(8-9-4-3-7-16-9)11-6-5-10(17-11)12(14)15/h3-7H,2,8H2,1H3,(H,14,15)
InChIKeyVXAKXUPYOXFFSJ-UHFFFAOYSA-N
MW235.24 g/mol
LogP2.60
Rot. Bonds5

About 5-[ethyl(furan-2-ylmethyl)amino]furan-2-carboxylic acid

5-[ethyl(furan-2-ylmethyl)amino]furan-2-carboxylic acid (PubChem CID 62206025) has the molecular formula C12H13NO4 and a molecular weight of 235.24 g/mol. Its IUPAC name is 5-[ethyl(furan-2-ylmethyl)amino]furan-2-carboxylic acid.

Molecular Properties

Compound Name5-[ethyl(furan-2-ylmethyl)amino]furan-2-carboxylic acid
PubChem CID62206025
Molecular FormulaC12H13NO4
Molecular Weight235.24 g/mol
Exact Mass235.08
IUPAC Name5-[ethyl(furan-2-ylmethyl)amino]furan-2-carboxylic acid
SMILESCCN(Cc1ccco1)c1ccc(C(=O)O)o1
InChIInChI=1S/C12H13NO4/c1-2-13(8-9-4-3-7-16-9)11-6-5-10(17-11)12(14)15/h3-7H,2,8H2,1H3,(H,14,15)
InChIKeyVXAKXUPYOXFFSJ-UHFFFAOYSA-N
XLogP2.60
TPSA66.82 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500235.24
LogP ≤ 52.60
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

5-[[2-(dimethylamino)-2-oxoethyl]-ethylamino]furan-2-carboxylic acid
CID 55050135
3-amino-4-[ethyl(furan-2-ylmethyl)amino]benzoic acid
CID 61421271
3-[ethyl(furan-2-ylmethyl)amino]pyridazine-4-carboxylic acid
CID 80516869
6-[ethyl(furan-2-ylmethyl)amino]pyrazine-2-carboxylic acid
CID 66456851
5-amino-2-[ethyl(furan-2-ylmethyl)amino]pyridine-4-carboxylic acid
CID 114090156
1-[5-(diethylamino)furan-2-yl]ethanone
CID 82375806
5-[bis(2-methylpropyl)amino]furan-2-carboxylic acid
CID 62206901
5-[ethyl(furan-2-ylmethyl)amino]-2-nitrobenzoic acid
CID 61421164
2-[[bis(furan-2-ylmethyl)amino]methyl]-1,3-oxazole-5-carboxylic acid
CID 123545327
furan-2-carboxylic acid;furan-2,5-dicarboxylic acid
CID 158946082
1-ethyl-1-(furan-2-ylmethyl)-3,3-dimethylurea
CID 115581572
1-[ethyl(furan-2-ylmethyl)amino]-3-phenylpropan-2-one
CID 62037011

Frequently Asked Questions

What is the IUPAC name of 5-[ethyl(furan-2-ylmethyl)amino]furan-2-carboxylic acid?
The IUPAC name of 5-[ethyl(furan-2-ylmethyl)amino]furan-2-carboxylic acid (CID 62206025) is 5-[ethyl(furan-2-ylmethyl)amino]furan-2-carboxylic acid.
What is the SMILES notation for 5-[ethyl(furan-2-ylmethyl)amino]furan-2-carboxylic acid?
The canonical SMILES for 5-[ethyl(furan-2-ylmethyl)amino]furan-2-carboxylic acid is CCN(Cc1ccco1)c1ccc(C(=O)O)o1.
What is the InChIKey of 5-[ethyl(furan-2-ylmethyl)amino]furan-2-carboxylic acid?
The InChIKey is VXAKXUPYOXFFSJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H13NO4/c1-2-13(8-9-4-3-7-16-9)11-6-5-10(17-11)12(14)15/h3-7H,2,8H2,1H3,(H,14,15).
What are the key properties of 5-[ethyl(furan-2-ylmethyl)amino]furan-2-carboxylic acid?
5-[ethyl(furan-2-ylmethyl)amino]furan-2-carboxylic acid has a molecular weight of 235.24 g/mol, XLogP of 2.60, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[ethyl(furan-2-ylmethyl)amino]furan-2-carboxylic acid is sourced from PubChem (CID 62206025), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).