5-(3-hydroxy-1-methylpyrrolidin-3-yl)furan-2-carboxylic acid

C10H13NO4 — CID 106945846

IUPAC5-(3-hydroxy-1-methylpyrrolidin-3-yl)furan-2-carboxylic acid
SMILESCN1CCC(O)(c2ccc(C(=O)O)o2)C1
InChIInChI=1S/C10H13NO4/c1-11-5-4-10(14,6-11)8-3-2-7(15-8)9(12)13/h2-3,14H,4-6H2,1H3,(H,12,13)
InChIKeyYTQWPORWAALDDY-UHFFFAOYSA-N
MW211.22 g/mol
LogP0.50
Rot. Bonds2

About 5-(3-hydroxy-1-methylpyrrolidin-3-yl)furan-2-carboxylic acid

5-(3-hydroxy-1-methylpyrrolidin-3-yl)furan-2-carboxylic acid (PubChem CID 106945846) has the molecular formula C10H13NO4 and a molecular weight of 211.22 g/mol. Its IUPAC name is 5-(3-hydroxy-1-methylpyrrolidin-3-yl)furan-2-carboxylic acid.

Molecular Properties

Compound Name5-(3-hydroxy-1-methylpyrrolidin-3-yl)furan-2-carboxylic acid
PubChem CID106945846
Molecular FormulaC10H13NO4
Molecular Weight211.22 g/mol
Exact Mass211.08
IUPAC Name5-(3-hydroxy-1-methylpyrrolidin-3-yl)furan-2-carboxylic acid
SMILESCN1CCC(O)(c2ccc(C(=O)O)o2)C1
InChIInChI=1S/C10H13NO4/c1-11-5-4-10(14,6-11)8-3-2-7(15-8)9(12)13/h2-3,14H,4-6H2,1H3,(H,12,13)
InChIKeyYTQWPORWAALDDY-UHFFFAOYSA-N
XLogP0.50
TPSA73.91 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500211.22
LogP ≤ 50.50
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

5-(4-hydroxy-1-propan-2-ylpiperidin-4-yl)furan-2-carboxylic acid
CID 106945824
5-(3-ethyl-1-hydroxycyclopentyl)furan-2-carboxylic acid
CID 106946107
5-(3-hydroxypiperidin-3-yl)furan-2-carboxylic acid
CID 103840627
5-(3-hydroxy-5-methylthiolan-3-yl)furan-2-carboxylic acid
CID 106946211
3-(4-ethylphenyl)-1-methylpyrrolidin-3-ol
CID 62977085
5-(3-amino-1-hydroxycyclohexyl)furan-2-carboxylic acid
CID 106946250
3-(furan-3-yl)-1-methylpyrrolidin-3-ol
CID 63947516
ethane;1-methyl-3-(2-methylpyrazol-3-yl)pyrrolidin-3-ol
CID 178114878
5-(2-hydroxy-1,3,3-trimethyl-2-bicyclo[2.2.1]heptanyl)furan-2-carboxylic acid
CID 106946294
furan-2,5-dicarboxylic acid;indigane
CID 174700126
1-methyl-3-thiophen-2-ylpyrrolidin-3-ol
CID 62976900
3-(cyclohepten-1-yl)-1-methylpyrrolidin-3-ol
CID 106650886

Frequently Asked Questions

What is the IUPAC name of 5-(3-hydroxy-1-methylpyrrolidin-3-yl)furan-2-carboxylic acid?
The IUPAC name of 5-(3-hydroxy-1-methylpyrrolidin-3-yl)furan-2-carboxylic acid (CID 106945846) is 5-(3-hydroxy-1-methylpyrrolidin-3-yl)furan-2-carboxylic acid.
What is the SMILES notation for 5-(3-hydroxy-1-methylpyrrolidin-3-yl)furan-2-carboxylic acid?
The canonical SMILES for 5-(3-hydroxy-1-methylpyrrolidin-3-yl)furan-2-carboxylic acid is CN1CCC(O)(c2ccc(C(=O)O)o2)C1.
What is the InChIKey of 5-(3-hydroxy-1-methylpyrrolidin-3-yl)furan-2-carboxylic acid?
The InChIKey is YTQWPORWAALDDY-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H13NO4/c1-11-5-4-10(14,6-11)8-3-2-7(15-8)9(12)13/h2-3,14H,4-6H2,1H3,(H,12,13).
What are the key properties of 5-(3-hydroxy-1-methylpyrrolidin-3-yl)furan-2-carboxylic acid?
5-(3-hydroxy-1-methylpyrrolidin-3-yl)furan-2-carboxylic acid has a molecular weight of 211.22 g/mol, XLogP of 0.50, 2 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(3-hydroxy-1-methylpyrrolidin-3-yl)furan-2-carboxylic acid is sourced from PubChem (CID 106945846), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).