5-[(adamantane-1-carbonylamino)methyl]furan-2-carboxylic acid

C17H21NO4 — CID 119245737

IUPAC5-[(adamantane-1-carbonylamino)methyl]furan-2-carboxylic acid
SMILESO=C(O)c1ccc(CNC(=O)C23CC4CC(CC(C4)C2)C3)o1
InChIInChI=1S/C17H21NO4/c19-15(20)14-2-1-13(22-14)9-18-16(21)17-6-10-3-11(7-17)5-12(4-10)8-17/h1-2,10-12H,3-9H2,(H,18,21)(H,19,20)
InChIKeyCLYZVTAKMYCRGR-UHFFFAOYSA-N
MW303.36 g/mol
LogP2.81
Rot. Bonds4

About 5-[(adamantane-1-carbonylamino)methyl]furan-2-carboxylic acid

5-[(adamantane-1-carbonylamino)methyl]furan-2-carboxylic acid (PubChem CID 119245737) has the molecular formula C17H21NO4 and a molecular weight of 303.36 g/mol. Its IUPAC name is 5-[(adamantane-1-carbonylamino)methyl]furan-2-carboxylic acid.

Molecular Properties

Compound Name5-[(adamantane-1-carbonylamino)methyl]furan-2-carboxylic acid
PubChem CID119245737
Molecular FormulaC17H21NO4
Molecular Weight303.36 g/mol
Exact Mass303.15
IUPAC Name5-[(adamantane-1-carbonylamino)methyl]furan-2-carboxylic acid
SMILESO=C(O)c1ccc(CNC(=O)C23CC4CC(CC(C4)C2)C3)o1
InChIInChI=1S/C17H21NO4/c19-15(20)14-2-1-13(22-14)9-18-16(21)17-6-10-3-11(7-17)5-12(4-10)8-17/h1-2,10-12H,3-9H2,(H,18,21)(H,19,20)
InChIKeyCLYZVTAKMYCRGR-UHFFFAOYSA-N
XLogP2.81
TPSA79.54 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500303.36
LogP ≤ 52.81
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Analyze 5-[(adamantane-1-carbonylamino)methyl]furan-2-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-[[(1-methylcycloheptanecarbonyl)amino]methyl]furan-2-carboxylic acid
CID 120527275
5-[(cyclopent-3-en-1-ylcarbamoylamino)methyl]furan-2-carboxylic acid
CID 113475840
N-(thiophen-2-ylmethyl)adamantane-1-carboxamide
CID 2805256
5-[[[(1R,2R,4R)-bicyclo[2.2.1]hept-5-ene-2-carbonyl]amino]methyl]furan-2-carboxylic acid
CID 90653945
5-[[[2-(4-bromophenyl)cyclopropanecarbonyl]amino]methyl]furan-2-carboxylic acid
CID 119246233
5-[(thiolan-3-ylcarbamoylamino)methyl]furan-2-carboxylic acid
CID 103064031
N-[(5-phenyl-1,2-oxazol-3-yl)methyl]adamantane-1-carboxamide
CID 16866467
N-[[1-(furan-2-ylmethyl)piperidin-4-yl]methyl]adamantane-1-carboxamide
CID 16896113
5-[(7-oxabicyclo[2.2.1]heptan-2-ylcarbamoylamino)methyl]furan-2-carboxylic acid
CID 80720484
5-[[[2-(4-propan-2-ylphenyl)cyclopropanecarbonyl]amino]methyl]furan-2-carboxylic acid
CID 119246168
N-(1,3-thiazol-5-ylmethyl)adamantane-1-carboxamide
CID 68850926
5-[[[2-(4-phenylcyclohexyl)acetyl]amino]methyl]furan-2-carboxylic acid
CID 119246162

Frequently Asked Questions

What is the IUPAC name of 5-[(adamantane-1-carbonylamino)methyl]furan-2-carboxylic acid?
The IUPAC name of 5-[(adamantane-1-carbonylamino)methyl]furan-2-carboxylic acid (CID 119245737) is 5-[(adamantane-1-carbonylamino)methyl]furan-2-carboxylic acid.
What is the SMILES notation for 5-[(adamantane-1-carbonylamino)methyl]furan-2-carboxylic acid?
The canonical SMILES for 5-[(adamantane-1-carbonylamino)methyl]furan-2-carboxylic acid is O=C(O)c1ccc(CNC(=O)C23CC4CC(CC(C4)C2)C3)o1.
What is the InChIKey of 5-[(adamantane-1-carbonylamino)methyl]furan-2-carboxylic acid?
The InChIKey is CLYZVTAKMYCRGR-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H21NO4/c19-15(20)14-2-1-13(22-14)9-18-16(21)17-6-10-3-11(7-17)5-12(4-10)8-17/h1-2,10-12H,3-9H2,(H,18,21)(H,19,20).
What are the key properties of 5-[(adamantane-1-carbonylamino)methyl]furan-2-carboxylic acid?
5-[(adamantane-1-carbonylamino)methyl]furan-2-carboxylic acid has a molecular weight of 303.36 g/mol, XLogP of 2.81, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[(adamantane-1-carbonylamino)methyl]furan-2-carboxylic acid is sourced from PubChem (CID 119245737), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).