2-methyl-5-[[(3-oxo-3-pyrrolidin-1-ylpropyl)amino]methyl]furan-3-carboxylic acid

C14H20N2O4 — CID 103263206

IUPAC2-methyl-5-[[(3-oxo-3-pyrrolidin-1-ylpropyl)amino]methyl]furan-3-carboxylic acid
SMILESCc1oc(CNCCC(=O)N2CCCC2)cc1C(=O)O
InChIInChI=1S/C14H20N2O4/c1-10-12(14(18)19)8-11(20-10)9-15-5-4-13(17)16-6-2-3-7-16/h8,15H,2-7,9H2,1H3,(H,18,19)
InChIKeyUNAOESCKMFMMAD-UHFFFAOYSA-N
MW280.32 g/mol
LogP1.39
Rot. Bonds6

About 2-methyl-5-[[(3-oxo-3-pyrrolidin-1-ylpropyl)amino]methyl]furan-3-carboxylic acid

2-methyl-5-[[(3-oxo-3-pyrrolidin-1-ylpropyl)amino]methyl]furan-3-carboxylic acid (PubChem CID 103263206) has the molecular formula C14H20N2O4 and a molecular weight of 280.32 g/mol. Its IUPAC name is 2-methyl-5-[[(3-oxo-3-pyrrolidin-1-ylpropyl)amino]methyl]furan-3-carboxylic acid.

Molecular Properties

Compound Name2-methyl-5-[[(3-oxo-3-pyrrolidin-1-ylpropyl)amino]methyl]furan-3-carboxylic acid
PubChem CID103263206
Molecular FormulaC14H20N2O4
Molecular Weight280.32 g/mol
Exact Mass280.14
IUPAC Name2-methyl-5-[[(3-oxo-3-pyrrolidin-1-ylpropyl)amino]methyl]furan-3-carboxylic acid
SMILESCc1oc(CNCCC(=O)N2CCCC2)cc1C(=O)O
InChIInChI=1S/C14H20N2O4/c1-10-12(14(18)19)8-11(20-10)9-15-5-4-13(17)16-6-2-3-7-16/h8,15H,2-7,9H2,1H3,(H,18,19)
InChIKeyUNAOESCKMFMMAD-UHFFFAOYSA-N
XLogP1.39
TPSA82.78 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500280.32
LogP ≤ 51.39
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

Analyze 2-methyl-5-[[(3-oxo-3-pyrrolidin-1-ylpropyl)amino]methyl]furan-3-carboxylic acid with MolForge

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Related Compounds

5-[[(3-amino-3-oxopropyl)amino]methyl]-2-methylfuran-3-carboxylic acid
CID 103238811
2-methyl-5-[[[3-(methylamino)-3-oxopropyl]amino]methyl]furan-3-carboxylic acid
CID 103245932
5-[[(3-oxo-3-pyrrolidin-1-ylpropyl)amino]methyl]furan-2-carboxylic acid
CID 63317125
5-[(5-hydroxypentylamino)methyl]-2-methylfuran-3-carboxylic acid
CID 107318240
2-methyl-5-[[(1-methylpiperidin-2-yl)methylamino]methyl]furan-3-carboxylic acid
CID 103244476
3-[(4-methoxycarbonyl-5-methylfuran-2-yl)methylamino]propanoic acid
CID 43774846
5-[[(2-chlorophenyl)methylamino]methyl]-2-methylfuran-3-carboxylic acid
CID 103232935
methyl 5-[[2-(azepan-1-yl)ethylamino]methyl]-2-methylfuran-3-carboxylate
CID 60752171
1-(azepan-1-yl)-3-(furan-2-ylmethylamino)propan-1-one
CID 109018638
2-methyl-5-[(3-phenoxypropylamino)methyl]furan-3-carboxylic acid
CID 103250015
3-[(5-methyl-3-pyridinyl)methylamino]-1-piperidin-1-ylpropan-1-one
CID 102881036
5-(azepan-1-ylmethyl)-2-methylfuran-3-carboxylic acid
CID 43477377

Frequently Asked Questions

What is the IUPAC name of 2-methyl-5-[[(3-oxo-3-pyrrolidin-1-ylpropyl)amino]methyl]furan-3-carboxylic acid?
The IUPAC name of 2-methyl-5-[[(3-oxo-3-pyrrolidin-1-ylpropyl)amino]methyl]furan-3-carboxylic acid (CID 103263206) is 2-methyl-5-[[(3-oxo-3-pyrrolidin-1-ylpropyl)amino]methyl]furan-3-carboxylic acid.
What is the SMILES notation for 2-methyl-5-[[(3-oxo-3-pyrrolidin-1-ylpropyl)amino]methyl]furan-3-carboxylic acid?
The canonical SMILES for 2-methyl-5-[[(3-oxo-3-pyrrolidin-1-ylpropyl)amino]methyl]furan-3-carboxylic acid is Cc1oc(CNCCC(=O)N2CCCC2)cc1C(=O)O.
What is the InChIKey of 2-methyl-5-[[(3-oxo-3-pyrrolidin-1-ylpropyl)amino]methyl]furan-3-carboxylic acid?
The InChIKey is UNAOESCKMFMMAD-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H20N2O4/c1-10-12(14(18)19)8-11(20-10)9-15-5-4-13(17)16-6-2-3-7-16/h8,15H,2-7,9H2,1H3,(H,18,19).
What are the key properties of 2-methyl-5-[[(3-oxo-3-pyrrolidin-1-ylpropyl)amino]methyl]furan-3-carboxylic acid?
2-methyl-5-[[(3-oxo-3-pyrrolidin-1-ylpropyl)amino]methyl]furan-3-carboxylic acid has a molecular weight of 280.32 g/mol, XLogP of 1.39, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-5-[[(3-oxo-3-pyrrolidin-1-ylpropyl)amino]methyl]furan-3-carboxylic acid is sourced from PubChem (CID 103263206), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).