5-[(3-amino-4-methylpyrrolidin-1-yl)methyl]furan-2-carboxylic acid

C11H16N2O3 — CID 103577076

IUPAC5-[(3-amino-4-methylpyrrolidin-1-yl)methyl]furan-2-carboxylic acid
SMILESCC1CN(Cc2ccc(C(=O)O)o2)CC1N
InChIInChI=1S/C11H16N2O3/c1-7-4-13(6-9(7)12)5-8-2-3-10(16-8)11(14)15/h2-3,7,9H,4-6,12H2,1H3,(H,14,15)
InChIKeyCUCJYQYHXRRBBX-UHFFFAOYSA-N
MW224.26 g/mol
LogP0.76
Rot. Bonds3

About 5-[(3-amino-4-methylpyrrolidin-1-yl)methyl]furan-2-carboxylic acid

5-[(3-amino-4-methylpyrrolidin-1-yl)methyl]furan-2-carboxylic acid (PubChem CID 103577076) has the molecular formula C11H16N2O3 and a molecular weight of 224.26 g/mol. Its IUPAC name is 5-[(3-amino-4-methylpyrrolidin-1-yl)methyl]furan-2-carboxylic acid.

Molecular Properties

Compound Name5-[(3-amino-4-methylpyrrolidin-1-yl)methyl]furan-2-carboxylic acid
PubChem CID103577076
Molecular FormulaC11H16N2O3
Molecular Weight224.26 g/mol
Exact Mass224.12
IUPAC Name5-[(3-amino-4-methylpyrrolidin-1-yl)methyl]furan-2-carboxylic acid
SMILESCC1CN(Cc2ccc(C(=O)O)o2)CC1N
InChIInChI=1S/C11H16N2O3/c1-7-4-13(6-9(7)12)5-8-2-3-10(16-8)11(14)15/h2-3,7,9H,4-6,12H2,1H3,(H,14,15)
InChIKeyCUCJYQYHXRRBBX-UHFFFAOYSA-N
XLogP0.76
TPSA79.70 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500224.26
LogP ≤ 50.76
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

ethyl 5-[(3-amino-4-methylpyrrolidin-1-yl)methyl]furan-2-carboxylate;hydrochloride
CID 120909270
methyl 5-[(4-amino-3-methylpiperidin-1-yl)methyl]furan-2-carboxylate
CID 79868617
5-[(4-ethylpiperazin-1-yl)methyl]furan-2-carboxylic acid
CID 20992392
1-[[5-(4-bromophenyl)furan-2-yl]methyl]-4-methylpyrrolidin-3-amine
CID 103576720
5-[(3-hydroxypiperidin-1-yl)methyl]furan-2-carboxylic acid
CID 61434674
oxalic acid;5-(piperidin-1-ylmethyl)furan-2-carboxylic acid
CID 45156284
5-[(4-butan-2-ylpiperazin-1-yl)methyl]furan-2-carboxylic acid
CID 62772481
5-[(1,1-dioxo-1,4-thiazinan-4-yl)methyl]furan-2-carboxylic acid
CID 43581655
1-[(4-fluorophenyl)methyl]-4-methylpyrrolidin-3-amine
CID 103575513
5-[(3-methoxy-4-methylpiperidin-1-yl)methyl]furan-2-carbohydrazide
CID 102968693
5-[[(2R)-2-methylpiperidin-1-yl]methyl]furan-2-carboxylic acid
CID 42233591
5-[(3-morpholin-4-ylpyrrolidin-1-yl)methyl]furan-2-carboxylic acid
CID 63170170

Frequently Asked Questions

What is the IUPAC name of 5-[(3-amino-4-methylpyrrolidin-1-yl)methyl]furan-2-carboxylic acid?
The IUPAC name of 5-[(3-amino-4-methylpyrrolidin-1-yl)methyl]furan-2-carboxylic acid (CID 103577076) is 5-[(3-amino-4-methylpyrrolidin-1-yl)methyl]furan-2-carboxylic acid.
What is the SMILES notation for 5-[(3-amino-4-methylpyrrolidin-1-yl)methyl]furan-2-carboxylic acid?
The canonical SMILES for 5-[(3-amino-4-methylpyrrolidin-1-yl)methyl]furan-2-carboxylic acid is CC1CN(Cc2ccc(C(=O)O)o2)CC1N.
What is the InChIKey of 5-[(3-amino-4-methylpyrrolidin-1-yl)methyl]furan-2-carboxylic acid?
The InChIKey is CUCJYQYHXRRBBX-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H16N2O3/c1-7-4-13(6-9(7)12)5-8-2-3-10(16-8)11(14)15/h2-3,7,9H,4-6,12H2,1H3,(H,14,15).
What are the key properties of 5-[(3-amino-4-methylpyrrolidin-1-yl)methyl]furan-2-carboxylic acid?
5-[(3-amino-4-methylpyrrolidin-1-yl)methyl]furan-2-carboxylic acid has a molecular weight of 224.26 g/mol, XLogP of 0.76, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[(3-amino-4-methylpyrrolidin-1-yl)methyl]furan-2-carboxylic acid is sourced from PubChem (CID 103577076), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).