2-[[(3-morpholin-4-yl-3-oxopropyl)amino]methyl]furan-3-carboxylic acid

C13H18N2O5 — CID 103262999

IUPAC2-[[(3-morpholin-4-yl-3-oxopropyl)amino]methyl]furan-3-carboxylic acid
SMILESO=C(O)c1ccoc1CNCCC(=O)N1CCOCC1
InChIInChI=1S/C13H18N2O5/c16-12(15-4-7-19-8-5-15)1-3-14-9-11-10(13(17)18)2-6-20-11/h2,6,14H,1,3-5,7-9H2,(H,17,18)
InChIKeyFKXTZORSOGRABV-UHFFFAOYSA-N
MW282.30 g/mol
LogP0.32
Rot. Bonds6

About 2-[[(3-morpholin-4-yl-3-oxopropyl)amino]methyl]furan-3-carboxylic acid

2-[[(3-morpholin-4-yl-3-oxopropyl)amino]methyl]furan-3-carboxylic acid (PubChem CID 103262999) has the molecular formula C13H18N2O5 and a molecular weight of 282.30 g/mol. Its IUPAC name is 2-[[(3-morpholin-4-yl-3-oxopropyl)amino]methyl]furan-3-carboxylic acid.

Molecular Properties

Compound Name2-[[(3-morpholin-4-yl-3-oxopropyl)amino]methyl]furan-3-carboxylic acid
PubChem CID103262999
Molecular FormulaC13H18N2O5
Molecular Weight282.30 g/mol
Exact Mass282.12
IUPAC Name2-[[(3-morpholin-4-yl-3-oxopropyl)amino]methyl]furan-3-carboxylic acid
SMILESO=C(O)c1ccoc1CNCCC(=O)N1CCOCC1
InChIInChI=1S/C13H18N2O5/c16-12(15-4-7-19-8-5-15)1-3-14-9-11-10(13(17)18)2-6-20-11/h2,6,14H,1,3-5,7-9H2,(H,17,18)
InChIKeyFKXTZORSOGRABV-UHFFFAOYSA-N
XLogP0.32
TPSA92.01 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500282.30
LogP ≤ 50.32
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

2-[(morpholin-4-ylamino)methyl]furan-3-carboxylic acid
CID 103261035
3-[(3-bromofuran-2-yl)methylamino]-1-pyrrolidin-1-ylpropan-1-one
CID 113237793
3-[(4-hydroxyphenyl)methylamino]-1-morpholin-4-ylpropan-1-one
CID 112685039
3-[(3-bromofuran-2-yl)methylamino]-1-piperidin-1-ylpropan-1-one
CID 113237827
3-[(3-chloro-4-methylphenyl)methylamino]-1-morpholin-4-ylpropan-1-one
CID 106817088
3-(1-benzofuran-3-ylmethylamino)-1-morpholin-4-ylpropan-1-one
CID 115750353
2-[(hexylamino)methyl]furan-3-carboxylic acid
CID 103251782
3-[[5-(methylsulfanylmethyl)furan-2-yl]methylamino]-1-morpholin-4-ylpropan-1-one
CID 115585147
3-[(2,3-difluorophenyl)methylamino]-1-morpholin-4-ylpropan-1-one
CID 115618229
3-[(5-bromo-2-pyridinyl)methylamino]-1-morpholin-4-ylpropan-1-one
CID 115626598
3-[(4-bromo-2-fluorophenyl)methylamino]-1-morpholin-4-ylpropan-1-one
CID 115585099
2-[[(2,2-difluoro-3-hydroxypropyl)amino]methyl]furan-3-carboxylic acid
CID 106178210

Frequently Asked Questions

What is the IUPAC name of 2-[[(3-morpholin-4-yl-3-oxopropyl)amino]methyl]furan-3-carboxylic acid?
The IUPAC name of 2-[[(3-morpholin-4-yl-3-oxopropyl)amino]methyl]furan-3-carboxylic acid (CID 103262999) is 2-[[(3-morpholin-4-yl-3-oxopropyl)amino]methyl]furan-3-carboxylic acid.
What is the SMILES notation for 2-[[(3-morpholin-4-yl-3-oxopropyl)amino]methyl]furan-3-carboxylic acid?
The canonical SMILES for 2-[[(3-morpholin-4-yl-3-oxopropyl)amino]methyl]furan-3-carboxylic acid is O=C(O)c1ccoc1CNCCC(=O)N1CCOCC1.
What is the InChIKey of 2-[[(3-morpholin-4-yl-3-oxopropyl)amino]methyl]furan-3-carboxylic acid?
The InChIKey is FKXTZORSOGRABV-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H18N2O5/c16-12(15-4-7-19-8-5-15)1-3-14-9-11-10(13(17)18)2-6-20-11/h2,6,14H,1,3-5,7-9H2,(H,17,18).
What are the key properties of 2-[[(3-morpholin-4-yl-3-oxopropyl)amino]methyl]furan-3-carboxylic acid?
2-[[(3-morpholin-4-yl-3-oxopropyl)amino]methyl]furan-3-carboxylic acid has a molecular weight of 282.30 g/mol, XLogP of 0.32, 6 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[(3-morpholin-4-yl-3-oxopropyl)amino]methyl]furan-3-carboxylic acid is sourced from PubChem (CID 103262999), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).