3-amino-4-ethyl-1-benzofuran-2-carboxylic acid

C11H11NO3 — CID 66733988

IUPAC3-amino-4-ethyl-1-benzofuran-2-carboxylic acid
SMILESCCc1cccc2oc(C(=O)O)c(N)c12
InChIInChI=1S/C11H11NO3/c1-2-6-4-3-5-7-8(6)9(12)10(15-7)11(13)14/h3-5H,2,12H2,1H3,(H,13,14)
InChIKeyVGMXMGGXINFCQS-UHFFFAOYSA-N
MW205.21 g/mol
LogP2.28
Rot. Bonds2

About 3-amino-4-ethyl-1-benzofuran-2-carboxylic acid

3-amino-4-ethyl-1-benzofuran-2-carboxylic acid (PubChem CID 66733988) has the molecular formula C11H11NO3 and a molecular weight of 205.21 g/mol. Its IUPAC name is 3-amino-4-ethyl-1-benzofuran-2-carboxylic acid.

Molecular Properties

Compound Name3-amino-4-ethyl-1-benzofuran-2-carboxylic acid
PubChem CID66733988
Molecular FormulaC11H11NO3
Molecular Weight205.21 g/mol
Exact Mass205.07
IUPAC Name3-amino-4-ethyl-1-benzofuran-2-carboxylic acid
SMILESCCc1cccc2oc(C(=O)O)c(N)c12
InChIInChI=1S/C11H11NO3/c1-2-6-4-3-5-7-8(6)9(12)10(15-7)11(13)14/h3-5H,2,12H2,1H3,(H,13,14)
InChIKeyVGMXMGGXINFCQS-UHFFFAOYSA-N
XLogP2.28
TPSA76.46 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500205.21
LogP ≤ 52.28
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

4-(methoxymethyl)-3-methyl-1-benzofuran-2-carboxylic acid
CID 68711320
propyl 4-ethyl-3-methoxy-1-benzofuran-2-carboxylate
CID 69306844
3-ethyl-5-methoxy-4-oxochromene-2-carboxylic acid
CID 69384782
4-ethyl-2,3-dimethyl-1-benzofuran
CID 121007664
2,6-diethylaniline;propane
CID 174429495
2,6-diethylaniline;iron(2+)
CID 175873065
3-methyl-1-benzofuran-2-carboxylic acid
CID 600591
3-amino-1-benzofuran-2-carboxamide
CID 600546
3-ethyl-4-oxochromene-2-carboxamide
CID 151195222
4-[[tert-butyl(dimethyl)silyl]oxymethyl]-3-methyl-1-benzofuran-2-carboxylic acid
CID 68715819
3-(2-carboxy-1-benzofuran-3-yl)-1-benzofuran-2-carboxylic acid
CID 164666500
4-ethyl-1,2-benzoxazol-3-one
CID 125426106

Frequently Asked Questions

What is the IUPAC name of 3-amino-4-ethyl-1-benzofuran-2-carboxylic acid?
The IUPAC name of 3-amino-4-ethyl-1-benzofuran-2-carboxylic acid (CID 66733988) is 3-amino-4-ethyl-1-benzofuran-2-carboxylic acid.
What is the SMILES notation for 3-amino-4-ethyl-1-benzofuran-2-carboxylic acid?
The canonical SMILES for 3-amino-4-ethyl-1-benzofuran-2-carboxylic acid is CCc1cccc2oc(C(=O)O)c(N)c12.
What is the InChIKey of 3-amino-4-ethyl-1-benzofuran-2-carboxylic acid?
The InChIKey is VGMXMGGXINFCQS-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H11NO3/c1-2-6-4-3-5-7-8(6)9(12)10(15-7)11(13)14/h3-5H,2,12H2,1H3,(H,13,14).
What are the key properties of 3-amino-4-ethyl-1-benzofuran-2-carboxylic acid?
3-amino-4-ethyl-1-benzofuran-2-carboxylic acid has a molecular weight of 205.21 g/mol, XLogP of 2.28, 2 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-amino-4-ethyl-1-benzofuran-2-carboxylic acid is sourced from PubChem (CID 66733988), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).