5-[[(3-hydroxyoxolan-3-yl)methylamino]methyl]furan-3-carboxylic acid

C11H15NO5 — CID 106099935

IUPAC5-[[(3-hydroxyoxolan-3-yl)methylamino]methyl]furan-3-carboxylic acid
SMILESO=C(O)c1coc(CNCC2(O)CCOC2)c1
InChIInChI=1S/C11H15NO5/c13-10(14)8-3-9(17-5-8)4-12-6-11(15)1-2-16-7-11/h3,5,12,15H,1-2,4,6-7H2,(H,13,14)
InChIKeyYPPGWBFGXCUNHW-UHFFFAOYSA-N
MW241.24 g/mol
LogP0.22
Rot. Bonds5

About 5-[[(3-hydroxyoxolan-3-yl)methylamino]methyl]furan-3-carboxylic acid

5-[[(3-hydroxyoxolan-3-yl)methylamino]methyl]furan-3-carboxylic acid (PubChem CID 106099935) has the molecular formula C11H15NO5 and a molecular weight of 241.24 g/mol. Its IUPAC name is 5-[[(3-hydroxyoxolan-3-yl)methylamino]methyl]furan-3-carboxylic acid.

Molecular Properties

Compound Name5-[[(3-hydroxyoxolan-3-yl)methylamino]methyl]furan-3-carboxylic acid
PubChem CID106099935
Molecular FormulaC11H15NO5
Molecular Weight241.24 g/mol
Exact Mass241.10
IUPAC Name5-[[(3-hydroxyoxolan-3-yl)methylamino]methyl]furan-3-carboxylic acid
SMILESO=C(O)c1coc(CNCC2(O)CCOC2)c1
InChIInChI=1S/C11H15NO5/c13-10(14)8-3-9(17-5-8)4-12-6-11(15)1-2-16-7-11/h3,5,12,15H,1-2,4,6-7H2,(H,13,14)
InChIKeyYPPGWBFGXCUNHW-UHFFFAOYSA-N
XLogP0.22
TPSA91.93 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500241.24
LogP ≤ 50.22
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

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Related Compounds

5-[[(3-hydroxyoxolan-3-yl)methylamino]methyl]-1,2-oxazole-3-carboxylic acid
CID 106102548
5-[[(3-hydroxyoxolan-3-yl)methylamino]methyl]thiophene-2-carboxylic acid
CID 106102577
3-[[(3-hydroxyoxolan-3-yl)methylamino]methyl]benzamide
CID 103848289
5-bromo-N-[(3-hydroxyoxolan-3-yl)methyl]furan-3-carboxamide
CID 84590622
3-[[(3,5-difluorophenyl)methylamino]methyl]oxolan-3-ol
CID 113338500
4-[[(3-hydroxyoxolan-3-yl)methylamino]methyl]benzene-1,3-diol
CID 113337838
4-fluoro-3-[(3-hydroxyoxolan-3-yl)methylsulfamoyl]benzoic acid
CID 106099823
5-[(2-bicyclo[2.2.1]heptanylmethylamino)methyl]furan-3-carboxylic acid
CID 104608943
3-[[[3-(methoxymethyl)phenyl]methylamino]methyl]oxolan-3-ol
CID 103848358
5-[[(4-bromophenyl)methylamino]methyl]furan-3-carboxylic acid
CID 104608030
3-[[(3-chlorophenyl)methylamino]methyl]oxolan-3-ol
CID 115765990
5-[[(5-methyl-1,2-oxazol-3-yl)methylamino]methyl]furan-3-carboxylic acid
CID 104608825

Frequently Asked Questions

What is the IUPAC name of 5-[[(3-hydroxyoxolan-3-yl)methylamino]methyl]furan-3-carboxylic acid?
The IUPAC name of 5-[[(3-hydroxyoxolan-3-yl)methylamino]methyl]furan-3-carboxylic acid (CID 106099935) is 5-[[(3-hydroxyoxolan-3-yl)methylamino]methyl]furan-3-carboxylic acid.
What is the SMILES notation for 5-[[(3-hydroxyoxolan-3-yl)methylamino]methyl]furan-3-carboxylic acid?
The canonical SMILES for 5-[[(3-hydroxyoxolan-3-yl)methylamino]methyl]furan-3-carboxylic acid is O=C(O)c1coc(CNCC2(O)CCOC2)c1.
What is the InChIKey of 5-[[(3-hydroxyoxolan-3-yl)methylamino]methyl]furan-3-carboxylic acid?
The InChIKey is YPPGWBFGXCUNHW-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H15NO5/c13-10(14)8-3-9(17-5-8)4-12-6-11(15)1-2-16-7-11/h3,5,12,15H,1-2,4,6-7H2,(H,13,14).
What are the key properties of 5-[[(3-hydroxyoxolan-3-yl)methylamino]methyl]furan-3-carboxylic acid?
5-[[(3-hydroxyoxolan-3-yl)methylamino]methyl]furan-3-carboxylic acid has a molecular weight of 241.24 g/mol, XLogP of 0.22, 5 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[[(3-hydroxyoxolan-3-yl)methylamino]methyl]furan-3-carboxylic acid is sourced from PubChem (CID 106099935), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).