5-methyl-4-[(oxolan-3-ylamino)methyl]furan-2-carboxylic acid

C11H15NO4 — CID 103258417

IUPAC5-methyl-4-[(oxolan-3-ylamino)methyl]furan-2-carboxylic acid
SMILESCc1oc(C(=O)O)cc1CNC1CCOC1
InChIInChI=1S/C11H15NO4/c1-7-8(4-10(16-7)11(13)14)5-12-9-2-3-15-6-9/h4,9,12H,2-3,5-6H2,1H3,(H,13,14)
InChIKeyQFXRSPLJDYBROF-UHFFFAOYSA-N
MW225.24 g/mol
LogP1.16
Rot. Bonds4

About 5-methyl-4-[(oxolan-3-ylamino)methyl]furan-2-carboxylic acid

5-methyl-4-[(oxolan-3-ylamino)methyl]furan-2-carboxylic acid (PubChem CID 103258417) has the molecular formula C11H15NO4 and a molecular weight of 225.24 g/mol. Its IUPAC name is 5-methyl-4-[(oxolan-3-ylamino)methyl]furan-2-carboxylic acid.

Molecular Properties

Compound Name5-methyl-4-[(oxolan-3-ylamino)methyl]furan-2-carboxylic acid
PubChem CID103258417
Molecular FormulaC11H15NO4
Molecular Weight225.24 g/mol
Exact Mass225.10
IUPAC Name5-methyl-4-[(oxolan-3-ylamino)methyl]furan-2-carboxylic acid
SMILESCc1oc(C(=O)O)cc1CNC1CCOC1
InChIInChI=1S/C11H15NO4/c1-7-8(4-10(16-7)11(13)14)5-12-9-2-3-15-6-9/h4,9,12H,2-3,5-6H2,1H3,(H,13,14)
InChIKeyQFXRSPLJDYBROF-UHFFFAOYSA-N
XLogP1.16
TPSA71.70 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500225.24
LogP ≤ 51.16
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

5-methyl-4-[[(1-methylpyrrolidin-3-yl)amino]methyl]furan-2-carboxylic acid
CID 103245559
4-[[(1,2-dimethylpiperidin-4-yl)amino]methyl]-5-methylfuran-2-carboxylic acid
CID 103260585
5-methyl-4-[[(5-oxopyrrolidin-3-yl)amino]methyl]furan-2-carboxylic acid
CID 106190673
5-methyl-4-(oxolan-3-ylsulfamoyl)furan-2-carboxylic acid
CID 80717647
4-[[(2,6-dioxopiperidin-3-yl)amino]methyl]-5-methylfuran-2-carboxylic acid
CID 103255566
5-methyl-4-[[(2-propan-2-ylcyclohexyl)amino]methyl]furan-2-carboxylic acid
CID 103261996
2-[(oxolan-3-ylamino)methyl]benzoic acid
CID 103258434
4-[[(4-hydroxycyclohexyl)methylamino]methyl]-5-methylfuran-2-carboxylic acid
CID 106137095
4-[[[(1R)-1-cyclopentylethyl]amino]methyl]-5-methylfuran-2-carboxylic acid
CID 103260002
4-[[(2-ethyloxolan-3-yl)methylamino]methyl]-5-methylfuran-2-carboxylic acid
CID 114106528
5-[(oxan-3-ylamino)methyl]furan-2-carboxylic acid
CID 63359979
4-[(2,2-dimethylhydrazinyl)methyl]-5-methylfuran-2-carboxylic acid
CID 103260997

Frequently Asked Questions

What is the IUPAC name of 5-methyl-4-[(oxolan-3-ylamino)methyl]furan-2-carboxylic acid?
The IUPAC name of 5-methyl-4-[(oxolan-3-ylamino)methyl]furan-2-carboxylic acid (CID 103258417) is 5-methyl-4-[(oxolan-3-ylamino)methyl]furan-2-carboxylic acid.
What is the SMILES notation for 5-methyl-4-[(oxolan-3-ylamino)methyl]furan-2-carboxylic acid?
The canonical SMILES for 5-methyl-4-[(oxolan-3-ylamino)methyl]furan-2-carboxylic acid is Cc1oc(C(=O)O)cc1CNC1CCOC1.
What is the InChIKey of 5-methyl-4-[(oxolan-3-ylamino)methyl]furan-2-carboxylic acid?
The InChIKey is QFXRSPLJDYBROF-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H15NO4/c1-7-8(4-10(16-7)11(13)14)5-12-9-2-3-15-6-9/h4,9,12H,2-3,5-6H2,1H3,(H,13,14).
What are the key properties of 5-methyl-4-[(oxolan-3-ylamino)methyl]furan-2-carboxylic acid?
5-methyl-4-[(oxolan-3-ylamino)methyl]furan-2-carboxylic acid has a molecular weight of 225.24 g/mol, XLogP of 1.16, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-methyl-4-[(oxolan-3-ylamino)methyl]furan-2-carboxylic acid is sourced from PubChem (CID 103258417), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).