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

C11H15NO4 — CID 63359979

IUPAC5-[(oxan-3-ylamino)methyl]furan-2-carboxylic acid
SMILESO=C(O)c1ccc(CNC2CCCOC2)o1
InChIInChI=1S/C11H15NO4/c13-11(14)10-4-3-9(16-10)6-12-8-2-1-5-15-7-8/h3-4,8,12H,1-2,5-7H2,(H,13,14)
InChIKeyQRUGMLWVJDYRGF-UHFFFAOYSA-N
MW225.24 g/mol
LogP1.25
Rot. Bonds4

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

5-[(oxan-3-ylamino)methyl]furan-2-carboxylic acid (PubChem CID 63359979) has the molecular formula C11H15NO4 and a molecular weight of 225.24 g/mol. Its IUPAC name is 5-[(oxan-3-ylamino)methyl]furan-2-carboxylic acid.

Molecular Properties

Compound Name5-[(oxan-3-ylamino)methyl]furan-2-carboxylic acid
PubChem CID63359979
Molecular FormulaC11H15NO4
Molecular Weight225.24 g/mol
Exact Mass225.10
IUPAC Name5-[(oxan-3-ylamino)methyl]furan-2-carboxylic acid
SMILESO=C(O)c1ccc(CNC2CCCOC2)o1
InChIInChI=1S/C11H15NO4/c13-11(14)10-4-3-9(16-10)6-12-8-2-1-5-15-7-8/h3-4,8,12H,1-2,5-7H2,(H,13,14)
InChIKeyQRUGMLWVJDYRGF-UHFFFAOYSA-N
XLogP1.25
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 ≤ 51.25
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

N-[(5-methylfuran-2-yl)methyl]oxan-3-amine
CID 63360041
3-[(oxan-3-ylamino)methyl]benzoic acid
CID 103251620
5-[[(2-hydroxycyclohexyl)amino]methyl]furan-2-carboxylic acid
CID 63317622
2-[(oxan-3-ylamino)methyl]furan-3-carboxylic acid
CID 103251607
5-[(cyclohexylamino)methyl]furan-2-carboxamide
CID 115672619
6-[(oxan-3-ylamino)methyl]pyridine-2-carboxylic acid
CID 106904699
5-methyl-4-[(oxolan-3-ylamino)methyl]furan-2-carboxylic acid
CID 103258417
5-[[[methyl(oxolan-3-yl)carbamoyl]amino]methyl]furan-2-carboxylic acid
CID 82741959
5-(cyclopropylmethyl)furan-2-carboxylic acid
CID 83815892
2-chloro-4-[(oxan-3-ylamino)methyl]phenol
CID 63363487
5-[[[3-[(2-methylpropan-2-yl)oxycarbonylamino]cyclobutyl]amino]methyl]furan-2-carboxylic acid
CID 107239085
5-[[2-(oxolan-2-yl)ethylamino]methyl]furan-2-carboxylic acid
CID 63317293

Frequently Asked Questions

What is the IUPAC name of 5-[(oxan-3-ylamino)methyl]furan-2-carboxylic acid?
The IUPAC name of 5-[(oxan-3-ylamino)methyl]furan-2-carboxylic acid (CID 63359979) is 5-[(oxan-3-ylamino)methyl]furan-2-carboxylic acid.
What is the SMILES notation for 5-[(oxan-3-ylamino)methyl]furan-2-carboxylic acid?
The canonical SMILES for 5-[(oxan-3-ylamino)methyl]furan-2-carboxylic acid is O=C(O)c1ccc(CNC2CCCOC2)o1.
What is the InChIKey of 5-[(oxan-3-ylamino)methyl]furan-2-carboxylic acid?
The InChIKey is QRUGMLWVJDYRGF-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H15NO4/c13-11(14)10-4-3-9(16-10)6-12-8-2-1-5-15-7-8/h3-4,8,12H,1-2,5-7H2,(H,13,14).
What are the key properties of 5-[(oxan-3-ylamino)methyl]furan-2-carboxylic acid?
5-[(oxan-3-ylamino)methyl]furan-2-carboxylic acid has a molecular weight of 225.24 g/mol, XLogP of 1.25, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[(oxan-3-ylamino)methyl]furan-2-carboxylic acid is sourced from PubChem (CID 63359979), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).