ethyl 5-aminofuran-3-carboxylate

C7H9NO3 — CID 22218303

IUPACethyl 5-aminofuran-3-carboxylate
SMILESCCOC(=O)c1coc(N)c1
InChIInChI=1S/C7H9NO3/c1-2-10-7(9)5-3-6(8)11-4-5/h3-4H,2,8H2,1H3
InChIKeyNDNMMKKVTBGKII-UHFFFAOYSA-N
MW155.15 g/mol
LogP1.04
Rot. Bonds2

About ethyl 5-aminofuran-3-carboxylate

ethyl 5-aminofuran-3-carboxylate (PubChem CID 22218303) has the molecular formula C7H9NO3 and a molecular weight of 155.15 g/mol. Its IUPAC name is ethyl 5-aminofuran-3-carboxylate.

Molecular Properties

Compound Nameethyl 5-aminofuran-3-carboxylate
PubChem CID22218303
Molecular FormulaC7H9NO3
Molecular Weight155.15 g/mol
Exact Mass155.06
IUPAC Nameethyl 5-aminofuran-3-carboxylate
SMILESCCOC(=O)c1coc(N)c1
InChIInChI=1S/C7H9NO3/c1-2-10-7(9)5-3-6(8)11-4-5/h3-4H,2,8H2,1H3
InChIKeyNDNMMKKVTBGKII-UHFFFAOYSA-N
XLogP1.04
TPSA65.46 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500155.15
LogP ≤ 51.04
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

ethyl 5-(3,4,5-trimethoxyphenyl)furan-3-carboxylate
CID 57338897
ethyl 3,5-bis(aminomethyl)benzoate
CID 174906778
ethyl 4-amino-3,5-dihydroxybenzoate
CID 130058658
diethyl benzene-1,3-dicarboxylate
CID 12491
ethyl 4-aminobenzoate
CID 2337
ethyl 4-amino-3,5-difluorobenzoate
CID 90041574
ethyl furan-3-carboxylate;furan-3-carboxylic acid
CID 158096971
ethyl 3-acetylbenzoate
CID 11298463
ethyl 4-(diethoxyphosphorylmethyl)-5-methylfuran-3-carboxylate
CID 132993069
ethyl 4-(4-ethoxycarbonylbenzoyl)benzoate
CID 11110194
ethyl 4-amino-3-hydroxybenzoate
CID 12784565
butane;ethyl 4-aminobenzoate
CID 67389405

Frequently Asked Questions

What is the IUPAC name of ethyl 5-aminofuran-3-carboxylate?
The IUPAC name of ethyl 5-aminofuran-3-carboxylate (CID 22218303) is ethyl 5-aminofuran-3-carboxylate.
What is the SMILES notation for ethyl 5-aminofuran-3-carboxylate?
The canonical SMILES for ethyl 5-aminofuran-3-carboxylate is CCOC(=O)c1coc(N)c1.
What is the InChIKey of ethyl 5-aminofuran-3-carboxylate?
The InChIKey is NDNMMKKVTBGKII-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H9NO3/c1-2-10-7(9)5-3-6(8)11-4-5/h3-4H,2,8H2,1H3.
What are the key properties of ethyl 5-aminofuran-3-carboxylate?
ethyl 5-aminofuran-3-carboxylate has a molecular weight of 155.15 g/mol, XLogP of 1.04, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 5-aminofuran-3-carboxylate is sourced from PubChem (CID 22218303), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).