5-(dicyclopropylmethylamino)furan-2-carboxylic acid

C12H15NO3 — CID 62206725

IUPAC5-(dicyclopropylmethylamino)furan-2-carboxylic acid
SMILESO=C(O)c1ccc(NC(C2CC2)C2CC2)o1
InChIInChI=1S/C12H15NO3/c14-12(15)9-5-6-10(16-9)13-11(7-1-2-7)8-3-4-8/h5-8,11,13H,1-4H2,(H,14,15)
InChIKeyJFEQYFRJVKJOFY-UHFFFAOYSA-N
MW221.26 g/mol
LogP2.58
Rot. Bonds5

About 5-(dicyclopropylmethylamino)furan-2-carboxylic acid

5-(dicyclopropylmethylamino)furan-2-carboxylic acid (PubChem CID 62206725) has the molecular formula C12H15NO3 and a molecular weight of 221.26 g/mol. Its IUPAC name is 5-(dicyclopropylmethylamino)furan-2-carboxylic acid.

Molecular Properties

Compound Name5-(dicyclopropylmethylamino)furan-2-carboxylic acid
PubChem CID62206725
Molecular FormulaC12H15NO3
Molecular Weight221.26 g/mol
Exact Mass221.11
IUPAC Name5-(dicyclopropylmethylamino)furan-2-carboxylic acid
SMILESO=C(O)c1ccc(NC(C2CC2)C2CC2)o1
InChIInChI=1S/C12H15NO3/c14-12(15)9-5-6-10(16-9)13-11(7-1-2-7)8-3-4-8/h5-8,11,13H,1-4H2,(H,14,15)
InChIKeyJFEQYFRJVKJOFY-UHFFFAOYSA-N
XLogP2.58
TPSA62.47 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500221.26
LogP ≤ 52.58
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

5-(1-cyclopropylethylamino)furan-2-carboxylic acid
CID 62205847
5-(cyclohexylamino)furan-2-carboxylic acid
CID 62207046
5-[[1-(methylamino)-1-oxopropan-2-yl]amino]furan-2-carboxylic acid
CID 62205327
5-[(2-methylcyclopropyl)amino]furan-2-carboxylic acid
CID 62409956
5-(4-methylpentan-2-ylamino)furan-2-carboxylic acid
CID 62204950
5-[(2-methylcyclohexyl)amino]furan-2-carboxylic acid
CID 62204413
5-[1-(4-fluorophenyl)propan-2-ylamino]furan-2-carboxylic acid
CID 63008488
5-(4-hydroxybutan-2-ylamino)furan-2-carboxylic acid
CID 83176620
5-[1-[bis(cyclopropylmethyl)amino]ethyl]furan-2-carboxylic acid
CID 79090935
5-[(2,2,3,3-tetramethylcyclopropyl)amino]furan-2-carboxylic acid
CID 79351175
5-[(1-ethylpyrrolidin-2-yl)methylamino]furan-2-carboxylic acid
CID 55050376
5-[1-(2,2-dicyclopropylethylamino)ethyl]furan-2-carboxylic acid
CID 103254915

Frequently Asked Questions

What is the IUPAC name of 5-(dicyclopropylmethylamino)furan-2-carboxylic acid?
The IUPAC name of 5-(dicyclopropylmethylamino)furan-2-carboxylic acid (CID 62206725) is 5-(dicyclopropylmethylamino)furan-2-carboxylic acid.
What is the SMILES notation for 5-(dicyclopropylmethylamino)furan-2-carboxylic acid?
The canonical SMILES for 5-(dicyclopropylmethylamino)furan-2-carboxylic acid is O=C(O)c1ccc(NC(C2CC2)C2CC2)o1.
What is the InChIKey of 5-(dicyclopropylmethylamino)furan-2-carboxylic acid?
The InChIKey is JFEQYFRJVKJOFY-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H15NO3/c14-12(15)9-5-6-10(16-9)13-11(7-1-2-7)8-3-4-8/h5-8,11,13H,1-4H2,(H,14,15).
What are the key properties of 5-(dicyclopropylmethylamino)furan-2-carboxylic acid?
5-(dicyclopropylmethylamino)furan-2-carboxylic acid has a molecular weight of 221.26 g/mol, XLogP of 2.58, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(dicyclopropylmethylamino)furan-2-carboxylic acid is sourced from PubChem (CID 62206725), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).