5-(2,3-dihydro-1-benzofuran-2-ylmethylamino)furan-2-carboxylic acid

C14H13NO4 — CID 62233383

IUPAC5-(2,3-dihydro-1-benzofuran-2-ylmethylamino)furan-2-carboxylic acid
SMILESO=C(O)c1ccc(NCC2Cc3ccccc3O2)o1
InChIInChI=1S/C14H13NO4/c16-14(17)12-5-6-13(19-12)15-8-10-7-9-3-1-2-4-11(9)18-10/h1-6,10,15H,7-8H2,(H,16,17)
InChIKeyLMDDHVVGRACFFW-UHFFFAOYSA-N
MW259.26 g/mol
LogP2.39
Rot. Bonds4

About 5-(2,3-dihydro-1-benzofuran-2-ylmethylamino)furan-2-carboxylic acid

5-(2,3-dihydro-1-benzofuran-2-ylmethylamino)furan-2-carboxylic acid (PubChem CID 62233383) has the molecular formula C14H13NO4 and a molecular weight of 259.26 g/mol. Its IUPAC name is 5-(2,3-dihydro-1-benzofuran-2-ylmethylamino)furan-2-carboxylic acid.

Molecular Properties

Compound Name5-(2,3-dihydro-1-benzofuran-2-ylmethylamino)furan-2-carboxylic acid
PubChem CID62233383
Molecular FormulaC14H13NO4
Molecular Weight259.26 g/mol
Exact Mass259.08
IUPAC Name5-(2,3-dihydro-1-benzofuran-2-ylmethylamino)furan-2-carboxylic acid
SMILESO=C(O)c1ccc(NCC2Cc3ccccc3O2)o1
InChIInChI=1S/C14H13NO4/c16-14(17)12-5-6-13(19-12)15-8-10-7-9-3-1-2-4-11(9)18-10/h1-6,10,15H,7-8H2,(H,16,17)
InChIKeyLMDDHVVGRACFFW-UHFFFAOYSA-N
XLogP2.39
TPSA71.70 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500259.26
LogP ≤ 52.39
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

4-(2,3-dihydro-1-benzofuran-2-ylmethylamino)benzoic acid
CID 62233384
N-(2,3-dihydro-1-benzofuran-2-ylmethyl)aniline
CID 54888631
2-(2,3-dihydro-1-benzofuran-2-ylmethylamino)-6-methylpyridine-3-carboxylic acid
CID 62710131
2-(2,3-dihydro-1-benzofuran-2-ylmethylamino)-6-fluorobenzoic acid
CID 79517954
4-(2,3-dihydro-1-benzofuran-2-ylmethylamino)pyridine-2-carboxylic acid
CID 62233203
3-(2,3-dihydro-1-benzofuran-2-ylmethylamino)-3-oxopropanoic acid
CID 62229922
4-bromo-2-(2,3-dihydro-1-benzofuran-2-ylmethylamino)benzoic acid
CID 114907271
4-(chloromethyl)-N-(2,3-dihydro-1-benzofuran-2-ylmethyl)aniline
CID 66365408
1-N-(2,3-dihydro-1-benzofuran-2-ylmethyl)-4-N-phenylbenzene-1,4-diamine
CID 110179031
N-(2,3-dihydro-1-benzofuran-2-ylmethyl)-2,2-diphenylacetamide
CID 71897392
5-chloro-N-(2,3-dihydro-1-benzofuran-2-ylmethyl)furan-2-carboxamide
CID 46400999
(2S)-2-(2,3-dihydro-1-benzofuran-2-ylmethylamino)-3-(4-hydroxyphenyl)propanoic acid
CID 167825475

Frequently Asked Questions

What is the IUPAC name of 5-(2,3-dihydro-1-benzofuran-2-ylmethylamino)furan-2-carboxylic acid?
The IUPAC name of 5-(2,3-dihydro-1-benzofuran-2-ylmethylamino)furan-2-carboxylic acid (CID 62233383) is 5-(2,3-dihydro-1-benzofuran-2-ylmethylamino)furan-2-carboxylic acid.
What is the SMILES notation for 5-(2,3-dihydro-1-benzofuran-2-ylmethylamino)furan-2-carboxylic acid?
The canonical SMILES for 5-(2,3-dihydro-1-benzofuran-2-ylmethylamino)furan-2-carboxylic acid is O=C(O)c1ccc(NCC2Cc3ccccc3O2)o1.
What is the InChIKey of 5-(2,3-dihydro-1-benzofuran-2-ylmethylamino)furan-2-carboxylic acid?
The InChIKey is LMDDHVVGRACFFW-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H13NO4/c16-14(17)12-5-6-13(19-12)15-8-10-7-9-3-1-2-4-11(9)18-10/h1-6,10,15H,7-8H2,(H,16,17).
What are the key properties of 5-(2,3-dihydro-1-benzofuran-2-ylmethylamino)furan-2-carboxylic acid?
5-(2,3-dihydro-1-benzofuran-2-ylmethylamino)furan-2-carboxylic acid has a molecular weight of 259.26 g/mol, XLogP of 2.39, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(2,3-dihydro-1-benzofuran-2-ylmethylamino)furan-2-carboxylic acid is sourced from PubChem (CID 62233383), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).