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

C10H14N2O4 — CID 103261035

IUPAC2-[(morpholin-4-ylamino)methyl]furan-3-carboxylic acid
SMILESO=C(O)c1ccoc1CNN1CCOCC1
InChIInChI=1S/C10H14N2O4/c13-10(14)8-1-4-16-9(8)7-11-12-2-5-15-6-3-12/h1,4,11H,2-3,5-7H2,(H,13,14)
InChIKeyNJMSJTOHEIRRNS-UHFFFAOYSA-N
MW226.23 g/mol
LogP0.31
Rot. Bonds4

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

2-[(morpholin-4-ylamino)methyl]furan-3-carboxylic acid (PubChem CID 103261035) has the molecular formula C10H14N2O4 and a molecular weight of 226.23 g/mol. Its IUPAC name is 2-[(morpholin-4-ylamino)methyl]furan-3-carboxylic acid.

Molecular Properties

Compound Name2-[(morpholin-4-ylamino)methyl]furan-3-carboxylic acid
PubChem CID103261035
Molecular FormulaC10H14N2O4
Molecular Weight226.23 g/mol
Exact Mass226.10
IUPAC Name2-[(morpholin-4-ylamino)methyl]furan-3-carboxylic acid
SMILESO=C(O)c1ccoc1CNN1CCOCC1
InChIInChI=1S/C10H14N2O4/c13-10(14)8-1-4-16-9(8)7-11-12-2-5-15-6-3-12/h1,4,11H,2-3,5-7H2,(H,13,14)
InChIKeyNJMSJTOHEIRRNS-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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Related Compounds

2-[[(3-morpholin-4-yl-3-oxopropyl)amino]methyl]furan-3-carboxylic acid
CID 103262999
2-[(2-hydroxyethylamino)methyl]furan-3-carboxylic acid
CID 103238234
5-[(morpholin-4-ylamino)methyl]thiophene-2-carboxylic acid
CID 103261043
2-[(oxan-3-ylamino)methyl]furan-3-carboxylic acid
CID 103251607
2-[(morpholin-4-ylamino)methyl]-1-benzofuran-3-carboxylic acid
CID 103261059
2-[(azocan-1-ylsulfonylamino)methyl]furan-3-carboxylic acid
CID 166295198
2-[[(2-phenylcyclopropyl)amino]methyl]furan-3-carboxylic acid
CID 103244631
5-[(morpholin-4-ylamino)methyl]furan-3-carboxylic acid
CID 104609285
2-(oxan-4-ylsulfanylmethyl)furan-3-carboxylic acid
CID 62996761
2-[2-oxo-2-(piperidin-1-ylamino)ethyl]furan-3-carboxylic acid
CID 112749081
2-[[(4-hydroxy-3-methylbutan-2-yl)amino]methyl]furan-3-carboxylic acid
CID 103265787
3-[(morpholin-4-ylamino)methyl]benzoic acid
CID 103261048

Frequently Asked Questions

What is the IUPAC name of 2-[(morpholin-4-ylamino)methyl]furan-3-carboxylic acid?
The IUPAC name of 2-[(morpholin-4-ylamino)methyl]furan-3-carboxylic acid (CID 103261035) is 2-[(morpholin-4-ylamino)methyl]furan-3-carboxylic acid.
What is the SMILES notation for 2-[(morpholin-4-ylamino)methyl]furan-3-carboxylic acid?
The canonical SMILES for 2-[(morpholin-4-ylamino)methyl]furan-3-carboxylic acid is O=C(O)c1ccoc1CNN1CCOCC1.
What is the InChIKey of 2-[(morpholin-4-ylamino)methyl]furan-3-carboxylic acid?
The InChIKey is NJMSJTOHEIRRNS-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H14N2O4/c13-10(14)8-1-4-16-9(8)7-11-12-2-5-15-6-3-12/h1,4,11H,2-3,5-7H2,(H,13,14).
What are the key properties of 2-[(morpholin-4-ylamino)methyl]furan-3-carboxylic acid?
2-[(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 2-[(morpholin-4-ylamino)methyl]furan-3-carboxylic acid is sourced from PubChem (CID 103261035), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).