5-[(2-bicyclo[2.2.1]heptanylamino)methyl]-2-methylfuran-3-carboxylic acid

C14H19NO3 — CID 103254703

IUPAC5-[(2-bicyclo[2.2.1]heptanylamino)methyl]-2-methylfuran-3-carboxylic acid
SMILESCc1oc(CNC2CC3CCC2C3)cc1C(=O)O
InChIInChI=1S/C14H19NO3/c1-8-12(14(16)17)6-11(18-8)7-15-13-5-9-2-3-10(13)4-9/h6,9-10,13,15H,2-5,7H2,1H3,(H,16,17)
InChIKeyZMIWCFSJFQAOFO-UHFFFAOYSA-N
MW249.31 g/mol
LogP2.56
Rot. Bonds4

About 5-[(2-bicyclo[2.2.1]heptanylamino)methyl]-2-methylfuran-3-carboxylic acid

5-[(2-bicyclo[2.2.1]heptanylamino)methyl]-2-methylfuran-3-carboxylic acid (PubChem CID 103254703) has the molecular formula C14H19NO3 and a molecular weight of 249.31 g/mol. Its IUPAC name is 5-[(2-bicyclo[2.2.1]heptanylamino)methyl]-2-methylfuran-3-carboxylic acid.

Molecular Properties

Compound Name5-[(2-bicyclo[2.2.1]heptanylamino)methyl]-2-methylfuran-3-carboxylic acid
PubChem CID103254703
Molecular FormulaC14H19NO3
Molecular Weight249.31 g/mol
Exact Mass249.14
IUPAC Name5-[(2-bicyclo[2.2.1]heptanylamino)methyl]-2-methylfuran-3-carboxylic acid
SMILESCc1oc(CNC2CC3CCC2C3)cc1C(=O)O
InChIInChI=1S/C14H19NO3/c1-8-12(14(16)17)6-11(18-8)7-15-13-5-9-2-3-10(13)4-9/h6,9-10,13,15H,2-5,7H2,1H3,(H,16,17)
InChIKeyZMIWCFSJFQAOFO-UHFFFAOYSA-N
XLogP2.56
TPSA62.47 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500249.31
LogP ≤ 52.56
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Analyze 5-[(2-bicyclo[2.2.1]heptanylamino)methyl]-2-methylfuran-3-carboxylic acid with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

5-[[(2,4-dimethylcyclohexyl)amino]methyl]-2-methylfuran-3-carboxylic acid
CID 103251961
2-methyl-5-[[(1-methylsulfonylpiperidin-4-yl)amino]methyl]furan-3-carboxylic acid
CID 103239396
2-methyl-5-[[(2-methylcyclohexyl)carbamoylamino]methyl]furan-3-carboxylic acid
CID 61191190
methyl 2-methyl-5-[[(2-methylcyclopentyl)amino]methyl]furan-3-carboxylate
CID 63278183
methyl 5-[(1-azabicyclo[2.2.2]octan-3-ylamino)methyl]-2-methylfuran-3-carboxylate
CID 43222452
5-[[(2-cyclopentylacetyl)amino]methyl]-2-methylfuran-3-carboxylic acid
CID 54907246
5-[[(1-cyclopropylpyrrolidin-3-yl)methylamino]methyl]-2-methylfuran-3-carboxylic acid
CID 103240552
2-methyl-5-[(methylsulfamoylamino)methyl]furan-3-carboxylic acid
CID 114805755
2-methyl-5-[[[2-[(3S)-oxolan-3-yl]acetyl]amino]methyl]furan-3-carboxylic acid
CID 125152458
5-[(dicyclopropylmethylcarbamoylamino)methyl]-2-methylfuran-3-carboxylic acid
CID 61480904
5-[(cyclohexylmethylcarbamoylamino)methyl]-2-methylfuran-3-carboxylic acid
CID 61199346
5-[(1-cyclohexylethylamino)methyl]-2-methylfuran-3-carboxylic acid
CID 103249941

Frequently Asked Questions

What is the IUPAC name of 5-[(2-bicyclo[2.2.1]heptanylamino)methyl]-2-methylfuran-3-carboxylic acid?
The IUPAC name of 5-[(2-bicyclo[2.2.1]heptanylamino)methyl]-2-methylfuran-3-carboxylic acid (CID 103254703) is 5-[(2-bicyclo[2.2.1]heptanylamino)methyl]-2-methylfuran-3-carboxylic acid.
What is the SMILES notation for 5-[(2-bicyclo[2.2.1]heptanylamino)methyl]-2-methylfuran-3-carboxylic acid?
The canonical SMILES for 5-[(2-bicyclo[2.2.1]heptanylamino)methyl]-2-methylfuran-3-carboxylic acid is Cc1oc(CNC2CC3CCC2C3)cc1C(=O)O.
What is the InChIKey of 5-[(2-bicyclo[2.2.1]heptanylamino)methyl]-2-methylfuran-3-carboxylic acid?
The InChIKey is ZMIWCFSJFQAOFO-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H19NO3/c1-8-12(14(16)17)6-11(18-8)7-15-13-5-9-2-3-10(13)4-9/h6,9-10,13,15H,2-5,7H2,1H3,(H,16,17).
What are the key properties of 5-[(2-bicyclo[2.2.1]heptanylamino)methyl]-2-methylfuran-3-carboxylic acid?
5-[(2-bicyclo[2.2.1]heptanylamino)methyl]-2-methylfuran-3-carboxylic acid has a molecular weight of 249.31 g/mol, XLogP of 2.56, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[(2-bicyclo[2.2.1]heptanylamino)methyl]-2-methylfuran-3-carboxylic acid is sourced from PubChem (CID 103254703), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).