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

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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).