5-[[2-hydroxyethyl(pyrrolidin-2-ylmethyl)amino]methyl]furan-2-carboxylic acid

C13H20N2O4 — CID 106618138

IUPAC5-[[2-hydroxyethyl(pyrrolidin-2-ylmethyl)amino]methyl]furan-2-carboxylic acid
SMILESO=C(O)c1ccc(CN(CCO)CC2CCCN2)o1
InChIInChI=1S/C13H20N2O4/c16-7-6-15(8-10-2-1-5-14-10)9-11-3-4-12(19-11)13(17)18/h3-4,10,14,16H,1-2,5-9H2,(H,17,18)
InChIKeyWGMTYFQWWTVISA-UHFFFAOYSA-N
MW268.31 g/mol
LogP0.52
Rot. Bonds7

About 5-[[2-hydroxyethyl(pyrrolidin-2-ylmethyl)amino]methyl]furan-2-carboxylic acid

5-[[2-hydroxyethyl(pyrrolidin-2-ylmethyl)amino]methyl]furan-2-carboxylic acid (PubChem CID 106618138) has the molecular formula C13H20N2O4 and a molecular weight of 268.31 g/mol. Its IUPAC name is 5-[[2-hydroxyethyl(pyrrolidin-2-ylmethyl)amino]methyl]furan-2-carboxylic acid.

Molecular Properties

Compound Name5-[[2-hydroxyethyl(pyrrolidin-2-ylmethyl)amino]methyl]furan-2-carboxylic acid
PubChem CID106618138
Molecular FormulaC13H20N2O4
Molecular Weight268.31 g/mol
Exact Mass268.14
IUPAC Name5-[[2-hydroxyethyl(pyrrolidin-2-ylmethyl)amino]methyl]furan-2-carboxylic acid
SMILESO=C(O)c1ccc(CN(CCO)CC2CCCN2)o1
InChIInChI=1S/C13H20N2O4/c16-7-6-15(8-10-2-1-5-14-10)9-11-3-4-12(19-11)13(17)18/h3-4,10,14,16H,1-2,5-9H2,(H,17,18)
InChIKeyWGMTYFQWWTVISA-UHFFFAOYSA-N
XLogP0.52
TPSA85.94 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500268.31
LogP ≤ 50.52
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

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Related Compounds

4-[[2-hydroxyethyl(pyrrolidin-2-ylmethyl)amino]methyl]benzoic acid
CID 106617921
methyl 5-[[ethyl(pyrrolidin-2-ylmethyl)amino]methyl]furan-2-carboxylate
CID 106614914
2-[2-phenylethyl(pyrrolidin-2-ylmethyl)amino]ethanol
CID 106606786
3-[[2-hydroxyethyl(pyrrolidin-2-ylmethyl)amino]methyl]phenol
CID 106607121
5-[[2-hydroxyethyl(pyrrolidin-2-ylmethyl)amino]methyl]-1-methylpyrazole-4-carboxylic acid
CID 106618118
2-[(3-cyclopropylphenyl)methyl-(pyrrolidin-2-ylmethyl)amino]ethanol
CID 106606862
2-[2-hydroxyethyl(pyrrolidin-2-ylmethyl)amino]acetamide
CID 106617908
2-[(2-chloro-4-pyridinyl)methyl-(pyrrolidin-2-ylmethyl)amino]ethanol
CID 106618047
5-ethyl-N-propyl-N-(pyrrolidin-2-ylmethyl)furan-2-carboxamide
CID 106610374
2-[(2-methyl-1-benzofuran-3-yl)methyl-(pyrrolidin-2-ylmethyl)amino]ethanol
CID 106606555
2-[(5-bromo-3-pyridinyl)methyl-(pyrrolidin-2-ylmethyl)amino]ethanol
CID 106606967
3-chloro-2-[[2-hydroxyethyl(pyrrolidin-2-ylmethyl)amino]methyl]phenol
CID 106607083

Frequently Asked Questions

What is the IUPAC name of 5-[[2-hydroxyethyl(pyrrolidin-2-ylmethyl)amino]methyl]furan-2-carboxylic acid?
The IUPAC name of 5-[[2-hydroxyethyl(pyrrolidin-2-ylmethyl)amino]methyl]furan-2-carboxylic acid (CID 106618138) is 5-[[2-hydroxyethyl(pyrrolidin-2-ylmethyl)amino]methyl]furan-2-carboxylic acid.
What is the SMILES notation for 5-[[2-hydroxyethyl(pyrrolidin-2-ylmethyl)amino]methyl]furan-2-carboxylic acid?
The canonical SMILES for 5-[[2-hydroxyethyl(pyrrolidin-2-ylmethyl)amino]methyl]furan-2-carboxylic acid is O=C(O)c1ccc(CN(CCO)CC2CCCN2)o1.
What is the InChIKey of 5-[[2-hydroxyethyl(pyrrolidin-2-ylmethyl)amino]methyl]furan-2-carboxylic acid?
The InChIKey is WGMTYFQWWTVISA-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H20N2O4/c16-7-6-15(8-10-2-1-5-14-10)9-11-3-4-12(19-11)13(17)18/h3-4,10,14,16H,1-2,5-9H2,(H,17,18).
What are the key properties of 5-[[2-hydroxyethyl(pyrrolidin-2-ylmethyl)amino]methyl]furan-2-carboxylic acid?
5-[[2-hydroxyethyl(pyrrolidin-2-ylmethyl)amino]methyl]furan-2-carboxylic acid has a molecular weight of 268.31 g/mol, XLogP of 0.52, 7 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[[2-hydroxyethyl(pyrrolidin-2-ylmethyl)amino]methyl]furan-2-carboxylic acid is sourced from PubChem (CID 106618138), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).