5-[[(5-amino-5-oxopentyl)amino]methyl]furan-3-carboxylic acid

C11H16N2O4 — CID 106233678

IUPAC5-[[(5-amino-5-oxopentyl)amino]methyl]furan-3-carboxylic acid
SMILESNC(=O)CCCCNCc1cc(C(=O)O)co1
InChIInChI=1S/C11H16N2O4/c12-10(14)3-1-2-4-13-6-9-5-8(7-17-9)11(15)16/h5,7,13H,1-4,6H2,(H2,12,14)(H,15,16)
InChIKeyXYWGYWDRKFDTNV-UHFFFAOYSA-N
MW240.26 g/mol
LogP0.72
Rot. Bonds8

About 5-[[(5-amino-5-oxopentyl)amino]methyl]furan-3-carboxylic acid

5-[[(5-amino-5-oxopentyl)amino]methyl]furan-3-carboxylic acid (PubChem CID 106233678) has the molecular formula C11H16N2O4 and a molecular weight of 240.26 g/mol. Its IUPAC name is 5-[[(5-amino-5-oxopentyl)amino]methyl]furan-3-carboxylic acid.

Molecular Properties

Compound Name5-[[(5-amino-5-oxopentyl)amino]methyl]furan-3-carboxylic acid
PubChem CID106233678
Molecular FormulaC11H16N2O4
Molecular Weight240.26 g/mol
Exact Mass240.11
IUPAC Name5-[[(5-amino-5-oxopentyl)amino]methyl]furan-3-carboxylic acid
SMILESNC(=O)CCCCNCc1cc(C(=O)O)co1
InChIInChI=1S/C11H16N2O4/c12-10(14)3-1-2-4-13-6-9-5-8(7-17-9)11(15)16/h5,7,13H,1-4,6H2,(H2,12,14)(H,15,16)
InChIKeyXYWGYWDRKFDTNV-UHFFFAOYSA-N
XLogP0.72
TPSA105.56 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500240.26
LogP ≤ 50.72
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

5-[[3-(methanesulfonamido)propylamino]methyl]furan-3-carboxylic acid
CID 106332873
5-[[[3-(ethylamino)-3-oxopropyl]amino]methyl]furan-3-carboxylic acid
CID 104609338
5-[[2-(4-methoxyphenyl)ethylamino]methyl]furan-3-carboxylic acid
CID 104607952
5-[[(4-bromophenyl)methylamino]methyl]furan-3-carboxylic acid
CID 104608030
5-[[2-(2-amino-2-oxoethyl)anilino]methyl]furan-3-carboxylic acid
CID 104608536
5-(hydroxymethyl)furan-3-carboxylic acid
CID 15422126
5-[[(3-fluorophenyl)methylamino]methyl]furan-3-carboxylic acid
CID 113432447
5-[[(5-methyl-1,2-oxazol-3-yl)methylamino]methyl]furan-3-carboxylic acid
CID 104608825
5-[[(3-methyl-1,2,4-oxadiazol-5-yl)methylamino]methyl]furan-3-carboxylic acid
CID 104608731
5-[(3,3-dimethylbutan-2-ylamino)methyl]furan-3-carboxylic acid
CID 104827778
5-[[(4-methyl-1,3-thiazol-2-yl)methylamino]methyl]furan-3-carboxylic acid
CID 104608743
5-[[(3-hydroxyoxolan-3-yl)methylamino]methyl]furan-3-carboxylic acid
CID 106099935

Frequently Asked Questions

What is the IUPAC name of 5-[[(5-amino-5-oxopentyl)amino]methyl]furan-3-carboxylic acid?
The IUPAC name of 5-[[(5-amino-5-oxopentyl)amino]methyl]furan-3-carboxylic acid (CID 106233678) is 5-[[(5-amino-5-oxopentyl)amino]methyl]furan-3-carboxylic acid.
What is the SMILES notation for 5-[[(5-amino-5-oxopentyl)amino]methyl]furan-3-carboxylic acid?
The canonical SMILES for 5-[[(5-amino-5-oxopentyl)amino]methyl]furan-3-carboxylic acid is NC(=O)CCCCNCc1cc(C(=O)O)co1.
What is the InChIKey of 5-[[(5-amino-5-oxopentyl)amino]methyl]furan-3-carboxylic acid?
The InChIKey is XYWGYWDRKFDTNV-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H16N2O4/c12-10(14)3-1-2-4-13-6-9-5-8(7-17-9)11(15)16/h5,7,13H,1-4,6H2,(H2,12,14)(H,15,16).
What are the key properties of 5-[[(5-amino-5-oxopentyl)amino]methyl]furan-3-carboxylic acid?
5-[[(5-amino-5-oxopentyl)amino]methyl]furan-3-carboxylic acid has a molecular weight of 240.26 g/mol, XLogP of 0.72, 8 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[[(5-amino-5-oxopentyl)amino]methyl]furan-3-carboxylic acid is sourced from PubChem (CID 106233678), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).