3-[(morpholin-4-ylamino)methyl]-1-benzofuran-2-carboxylic acid

C14H16N2O4 — CID 103261025

IUPAC3-[(morpholin-4-ylamino)methyl]-1-benzofuran-2-carboxylic acid
SMILESO=C(O)c1oc2ccccc2c1CNN1CCOCC1
InChIInChI=1S/C14H16N2O4/c17-14(18)13-11(9-15-16-5-7-19-8-6-16)10-3-1-2-4-12(10)20-13/h1-4,15H,5-9H2,(H,17,18)
InChIKeyJHWFYKUXCYINLT-UHFFFAOYSA-N
MW276.29 g/mol
LogP1.47
Rot. Bonds4

About 3-[(morpholin-4-ylamino)methyl]-1-benzofuran-2-carboxylic acid

3-[(morpholin-4-ylamino)methyl]-1-benzofuran-2-carboxylic acid (PubChem CID 103261025) has the molecular formula C14H16N2O4 and a molecular weight of 276.29 g/mol. Its IUPAC name is 3-[(morpholin-4-ylamino)methyl]-1-benzofuran-2-carboxylic acid.

Molecular Properties

Compound Name3-[(morpholin-4-ylamino)methyl]-1-benzofuran-2-carboxylic acid
PubChem CID103261025
Molecular FormulaC14H16N2O4
Molecular Weight276.29 g/mol
Exact Mass276.11
IUPAC Name3-[(morpholin-4-ylamino)methyl]-1-benzofuran-2-carboxylic acid
SMILESO=C(O)c1oc2ccccc2c1CNN1CCOCC1
InChIInChI=1S/C14H16N2O4/c17-14(18)13-11(9-15-16-5-7-19-8-6-16)10-3-1-2-4-12(10)20-13/h1-4,15H,5-9H2,(H,17,18)
InChIKeyJHWFYKUXCYINLT-UHFFFAOYSA-N
XLogP1.47
TPSA74.94 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500276.29
LogP ≤ 51.47
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

3-[(piperidin-1-ylamino)methyl]-1-benzofuran-2-carboxylic acid
CID 103261159
2-[(morpholin-4-ylamino)methyl]-1-benzofuran-3-carboxylic acid
CID 103261059
3-[(oxan-4-ylamino)methyl]-1-benzofuran-2-carboxylic acid
CID 103239302
3-[(dicyclopropylmethylamino)methyl]-1-benzofuran-2-carboxylic acid
CID 103247350
3-[(2,2,2-trifluoroethylamino)methyl]-1-benzofuran-2-carboxylic acid
CID 103235292
3-(propylaminomethyl)-1-benzofuran-2-carboxylic acid
CID 103235081
3-[(thiophen-2-ylmethylamino)methyl]-1-benzofuran-2-carboxylic acid
CID 103237368
3-[(4-hydroxypentan-2-ylamino)methyl]-1-benzofuran-2-carboxylic acid
CID 103263679
3-[[(2,2,3,3-tetramethylcyclopropyl)amino]methyl]-1-benzofuran-2-carboxylic acid
CID 103256685
3-[(2-iodoanilino)methyl]-1-benzofuran-2-carboxylic acid
CID 103236953
3-[[(1-ethylcyclobutyl)amino]methyl]-1-benzofuran-2-carboxylic acid
CID 103264746
3-[[(1-methylpyrrolidin-3-yl)amino]methyl]-1-benzofuran-2-carboxylic acid
CID 103245535

Frequently Asked Questions

What is the IUPAC name of 3-[(morpholin-4-ylamino)methyl]-1-benzofuran-2-carboxylic acid?
The IUPAC name of 3-[(morpholin-4-ylamino)methyl]-1-benzofuran-2-carboxylic acid (CID 103261025) is 3-[(morpholin-4-ylamino)methyl]-1-benzofuran-2-carboxylic acid.
What is the SMILES notation for 3-[(morpholin-4-ylamino)methyl]-1-benzofuran-2-carboxylic acid?
The canonical SMILES for 3-[(morpholin-4-ylamino)methyl]-1-benzofuran-2-carboxylic acid is O=C(O)c1oc2ccccc2c1CNN1CCOCC1.
What is the InChIKey of 3-[(morpholin-4-ylamino)methyl]-1-benzofuran-2-carboxylic acid?
The InChIKey is JHWFYKUXCYINLT-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H16N2O4/c17-14(18)13-11(9-15-16-5-7-19-8-6-16)10-3-1-2-4-12(10)20-13/h1-4,15H,5-9H2,(H,17,18).
What are the key properties of 3-[(morpholin-4-ylamino)methyl]-1-benzofuran-2-carboxylic acid?
3-[(morpholin-4-ylamino)methyl]-1-benzofuran-2-carboxylic acid has a molecular weight of 276.29 g/mol, XLogP of 1.47, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(morpholin-4-ylamino)methyl]-1-benzofuran-2-carboxylic acid is sourced from PubChem (CID 103261025), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).