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

C10H14N2O4 — CID 104609285

IUPAC5-[(morpholin-4-ylamino)methyl]furan-3-carboxylic acid
SMILESO=C(O)c1coc(CNN2CCOCC2)c1
InChIInChI=1S/C10H14N2O4/c13-10(14)8-5-9(16-7-8)6-11-12-1-3-15-4-2-12/h5,7,11H,1-4,6H2,(H,13,14)
InChIKeyVGQZBTXZMSWXBG-UHFFFAOYSA-N
MW226.23 g/mol
LogP0.31
Rot. Bonds4

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

5-[(morpholin-4-ylamino)methyl]furan-3-carboxylic acid (PubChem CID 104609285) has the molecular formula C10H14N2O4 and a molecular weight of 226.23 g/mol. Its IUPAC name is 5-[(morpholin-4-ylamino)methyl]furan-3-carboxylic acid.

Molecular Properties

Compound Name5-[(morpholin-4-ylamino)methyl]furan-3-carboxylic acid
PubChem CID104609285
Molecular FormulaC10H14N2O4
Molecular Weight226.23 g/mol
Exact Mass226.10
IUPAC Name5-[(morpholin-4-ylamino)methyl]furan-3-carboxylic acid
SMILESO=C(O)c1coc(CNN2CCOCC2)c1
InChIInChI=1S/C10H14N2O4/c13-10(14)8-5-9(16-7-8)6-11-12-1-3-15-4-2-12/h5,7,11H,1-4,6H2,(H,13,14)
InChIKeyVGQZBTXZMSWXBG-UHFFFAOYSA-N
XLogP0.31
TPSA74.94 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500226.23
LogP ≤ 50.31
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Analyze 5-[(morpholin-4-ylamino)methyl]furan-3-carboxylic acid with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

3-[(morpholin-4-ylamino)methyl]benzoic acid
CID 103261048
5-[(2,6-dichloroanilino)methyl]furan-3-carboxylic acid
CID 113432526
5-[(3,3-dimethylbutan-2-ylamino)methyl]furan-3-carboxylic acid
CID 104827778
5-[[(3-hydroxyoxolan-3-yl)methylamino]methyl]furan-3-carboxylic acid
CID 106099935
5-[(1-piperidin-1-ylpropan-2-ylamino)methyl]furan-3-carboxylic acid
CID 104608599
2-[(morpholin-4-ylamino)methyl]furan-3-carboxylic acid
CID 103261035
5-(pyrrolidin-1-ylmethyl)furan-3-carboxylic acid
CID 62267284
5-[(3,3-dimethylmorpholin-4-yl)methyl]furan-3-carboxylic acid
CID 62269405
5-[[(4-methylmorpholin-2-yl)methylamino]methyl]furan-3-carboxylic acid
CID 113432530
5-[[[(1R)-1-pyridin-4-ylethyl]amino]methyl]furan-3-carboxylic acid
CID 113432548
5-[(morpholin-4-ylamino)methyl]thiophene-2-carboxylic acid
CID 103261043
4-[(morpholin-4-ylamino)methyl]benzamide
CID 83012003

Frequently Asked Questions

What is the IUPAC name of 5-[(morpholin-4-ylamino)methyl]furan-3-carboxylic acid?
The IUPAC name of 5-[(morpholin-4-ylamino)methyl]furan-3-carboxylic acid (CID 104609285) is 5-[(morpholin-4-ylamino)methyl]furan-3-carboxylic acid.
What is the SMILES notation for 5-[(morpholin-4-ylamino)methyl]furan-3-carboxylic acid?
The canonical SMILES for 5-[(morpholin-4-ylamino)methyl]furan-3-carboxylic acid is O=C(O)c1coc(CNN2CCOCC2)c1.
What is the InChIKey of 5-[(morpholin-4-ylamino)methyl]furan-3-carboxylic acid?
The InChIKey is VGQZBTXZMSWXBG-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H14N2O4/c13-10(14)8-5-9(16-7-8)6-11-12-1-3-15-4-2-12/h5,7,11H,1-4,6H2,(H,13,14).
What are the key properties of 5-[(morpholin-4-ylamino)methyl]furan-3-carboxylic acid?
5-[(morpholin-4-ylamino)methyl]furan-3-carboxylic acid has a molecular weight of 226.23 g/mol, XLogP of 0.31, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[(morpholin-4-ylamino)methyl]furan-3-carboxylic acid is sourced from PubChem (CID 104609285), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).