5-[cyclobutyl(2-hydroxyethyl)amino]furan-2-carboxylic acid

C11H15NO4 — CID 102863254

IUPAC5-[cyclobutyl(2-hydroxyethyl)amino]furan-2-carboxylic acid
SMILESO=C(O)c1ccc(N(CCO)C2CCC2)o1
InChIInChI=1S/C11H15NO4/c13-7-6-12(8-2-1-3-8)10-5-4-9(16-10)11(14)15/h4-5,8,13H,1-3,6-7H2,(H,14,15)
InChIKeyAQYSQJHSEQDQPH-UHFFFAOYSA-N
MW225.24 g/mol
LogP1.33
Rot. Bonds5

About 5-[cyclobutyl(2-hydroxyethyl)amino]furan-2-carboxylic acid

5-[cyclobutyl(2-hydroxyethyl)amino]furan-2-carboxylic acid (PubChem CID 102863254) has the molecular formula C11H15NO4 and a molecular weight of 225.24 g/mol. Its IUPAC name is 5-[cyclobutyl(2-hydroxyethyl)amino]furan-2-carboxylic acid.

Molecular Properties

Compound Name5-[cyclobutyl(2-hydroxyethyl)amino]furan-2-carboxylic acid
PubChem CID102863254
Molecular FormulaC11H15NO4
Molecular Weight225.24 g/mol
Exact Mass225.10
IUPAC Name5-[cyclobutyl(2-hydroxyethyl)amino]furan-2-carboxylic acid
SMILESO=C(O)c1ccc(N(CCO)C2CCC2)o1
InChIInChI=1S/C11H15NO4/c13-7-6-12(8-2-1-3-8)10-5-4-9(16-10)11(14)15/h4-5,8,13H,1-3,6-7H2,(H,14,15)
InChIKeyAQYSQJHSEQDQPH-UHFFFAOYSA-N
XLogP1.33
TPSA73.91 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500225.24
LogP ≤ 51.33
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

5-[cyclobutyl(3-hydroxypropyl)amino]furan-2-carboxylic acid
CID 102863170
1-[5-[cyclohexyl(ethyl)amino]furan-2-yl]ethanone
CID 104651513
2-[cyclobutyl(2-hydroxyethyl)amino]benzoic acid
CID 102863255
4-[cyclobutyl(2-hydroxyethyl)amino]-3-methylbenzoic acid
CID 102863218
5-[[2-[cyclopentyl(methyl)amino]ethyl-methylamino]methyl]furan-2-carboxylic acid
CID 134714681
N-cyclobutyl-N-(2-hydroxyethyl)-5-methylfuran-2-carboxamide
CID 102684491
3-[cyclopentyl(2-hydroxyethyl)amino]pyridine-4-carboxylic acid
CID 105062667
5-(cyclopropylmethyl)furan-2-carboxylic acid
CID 83815892
2-[cyclopropyl(2-hydroxyethyl)amino]benzoic acid
CID 62230361
5-[methyl(oxan-4-ylmethyl)amino]furan-2-carboxylic acid
CID 63706715
5-[[2-hydroxyethyl(pyrrolidin-2-ylmethyl)amino]methyl]furan-2-carboxylic acid
CID 106618138
2-[cyclopentyl-[5-(hydroxymethyl)-2-pyridinyl]amino]ethanol
CID 54994646

Frequently Asked Questions

What is the IUPAC name of 5-[cyclobutyl(2-hydroxyethyl)amino]furan-2-carboxylic acid?
The IUPAC name of 5-[cyclobutyl(2-hydroxyethyl)amino]furan-2-carboxylic acid (CID 102863254) is 5-[cyclobutyl(2-hydroxyethyl)amino]furan-2-carboxylic acid.
What is the SMILES notation for 5-[cyclobutyl(2-hydroxyethyl)amino]furan-2-carboxylic acid?
The canonical SMILES for 5-[cyclobutyl(2-hydroxyethyl)amino]furan-2-carboxylic acid is O=C(O)c1ccc(N(CCO)C2CCC2)o1.
What is the InChIKey of 5-[cyclobutyl(2-hydroxyethyl)amino]furan-2-carboxylic acid?
The InChIKey is AQYSQJHSEQDQPH-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H15NO4/c13-7-6-12(8-2-1-3-8)10-5-4-9(16-10)11(14)15/h4-5,8,13H,1-3,6-7H2,(H,14,15).
What are the key properties of 5-[cyclobutyl(2-hydroxyethyl)amino]furan-2-carboxylic acid?
5-[cyclobutyl(2-hydroxyethyl)amino]furan-2-carboxylic acid has a molecular weight of 225.24 g/mol, XLogP of 1.33, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[cyclobutyl(2-hydroxyethyl)amino]furan-2-carboxylic acid is sourced from PubChem (CID 102863254), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).