5-(1-cyclopropylethylamino)furan-2-carboxylic acid

C10H13NO3 — CID 62205847

IUPAC5-(1-cyclopropylethylamino)furan-2-carboxylic acid
SMILESCC(Nc1ccc(C(=O)O)o1)C1CC1
InChIInChI=1S/C10H13NO3/c1-6(7-2-3-7)11-9-5-4-8(14-9)10(12)13/h4-7,11H,2-3H2,1H3,(H,12,13)
InChIKeyUMZDRVAMHHIVRJ-UHFFFAOYSA-N
MW195.22 g/mol
LogP2.19
Rot. Bonds4

About 5-(1-cyclopropylethylamino)furan-2-carboxylic acid

5-(1-cyclopropylethylamino)furan-2-carboxylic acid (PubChem CID 62205847) has the molecular formula C10H13NO3 and a molecular weight of 195.22 g/mol. Its IUPAC name is 5-(1-cyclopropylethylamino)furan-2-carboxylic acid.

Molecular Properties

Compound Name5-(1-cyclopropylethylamino)furan-2-carboxylic acid
PubChem CID62205847
Molecular FormulaC10H13NO3
Molecular Weight195.22 g/mol
Exact Mass195.09
IUPAC Name5-(1-cyclopropylethylamino)furan-2-carboxylic acid
SMILESCC(Nc1ccc(C(=O)O)o1)C1CC1
InChIInChI=1S/C10H13NO3/c1-6(7-2-3-7)11-9-5-4-8(14-9)10(12)13/h4-7,11H,2-3H2,1H3,(H,12,13)
InChIKeyUMZDRVAMHHIVRJ-UHFFFAOYSA-N
XLogP2.19
TPSA62.47 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500195.22
LogP ≤ 52.19
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

5-(dicyclopropylmethylamino)furan-2-carboxylic acid
CID 62206725
5-[[1-(methylamino)-1-oxopropan-2-yl]amino]furan-2-carboxylic acid
CID 62205327
5-(4-methylpentan-2-ylamino)furan-2-carboxylic acid
CID 62204950
5-(4-hydroxybutan-2-ylamino)furan-2-carboxylic acid
CID 83176620
5-[1-(4-fluorophenyl)propan-2-ylamino]furan-2-carboxylic acid
CID 63008488
5-(1-cyclohexylethylsulfamoyl)furan-2-carboxylic acid
CID 62406823
5-[(2-methylcyclopropyl)amino]furan-2-carboxylic acid
CID 62409956
5-(cyclohexylamino)furan-2-carboxylic acid
CID 62207046
5-[1-(2,2-dicyclopropylethylamino)ethyl]furan-2-carboxylic acid
CID 103254915
5-[(1-hydroxy-4-methylpentan-3-yl)amino]furan-2-carboxylic acid
CID 106350355
5-(6-methylheptan-2-ylamino)furan-2-carboxylic acid
CID 62205856
5-[1-[(2-cyclopropyl-2-hydroxyethyl)amino]ethyl]furan-2-carboxylic acid
CID 103251539

Frequently Asked Questions

What is the IUPAC name of 5-(1-cyclopropylethylamino)furan-2-carboxylic acid?
The IUPAC name of 5-(1-cyclopropylethylamino)furan-2-carboxylic acid (CID 62205847) is 5-(1-cyclopropylethylamino)furan-2-carboxylic acid.
What is the SMILES notation for 5-(1-cyclopropylethylamino)furan-2-carboxylic acid?
The canonical SMILES for 5-(1-cyclopropylethylamino)furan-2-carboxylic acid is CC(Nc1ccc(C(=O)O)o1)C1CC1.
What is the InChIKey of 5-(1-cyclopropylethylamino)furan-2-carboxylic acid?
The InChIKey is UMZDRVAMHHIVRJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H13NO3/c1-6(7-2-3-7)11-9-5-4-8(14-9)10(12)13/h4-7,11H,2-3H2,1H3,(H,12,13).
What are the key properties of 5-(1-cyclopropylethylamino)furan-2-carboxylic acid?
5-(1-cyclopropylethylamino)furan-2-carboxylic acid has a molecular weight of 195.22 g/mol, XLogP of 2.19, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(1-cyclopropylethylamino)furan-2-carboxylic acid is sourced from PubChem (CID 62205847), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).