5-[[2-(aminomethyl)pyrrolidin-1-yl]methyl]furan-2-carboxylic acid

C11H16N2O3 — CID 115312700

IUPAC5-[[2-(aminomethyl)pyrrolidin-1-yl]methyl]furan-2-carboxylic acid
SMILESNCC1CCCN1Cc1ccc(C(=O)O)o1
InChIInChI=1S/C11H16N2O3/c12-6-8-2-1-5-13(8)7-9-3-4-10(16-9)11(14)15/h3-4,8H,1-2,5-7,12H2,(H,14,15)
InChIKeyBFUZQBBVKTXNDS-UHFFFAOYSA-N
MW224.26 g/mol
LogP0.90
Rot. Bonds4

About 5-[[2-(aminomethyl)pyrrolidin-1-yl]methyl]furan-2-carboxylic acid

5-[[2-(aminomethyl)pyrrolidin-1-yl]methyl]furan-2-carboxylic acid (PubChem CID 115312700) has the molecular formula C11H16N2O3 and a molecular weight of 224.26 g/mol. Its IUPAC name is 5-[[2-(aminomethyl)pyrrolidin-1-yl]methyl]furan-2-carboxylic acid.

Molecular Properties

Compound Name5-[[2-(aminomethyl)pyrrolidin-1-yl]methyl]furan-2-carboxylic acid
PubChem CID115312700
Molecular FormulaC11H16N2O3
Molecular Weight224.26 g/mol
Exact Mass224.12
IUPAC Name5-[[2-(aminomethyl)pyrrolidin-1-yl]methyl]furan-2-carboxylic acid
SMILESNCC1CCCN1Cc1ccc(C(=O)O)o1
InChIInChI=1S/C11H16N2O3/c12-6-8-2-1-5-13(8)7-9-3-4-10(16-9)11(14)15/h3-4,8H,1-2,5-7,12H2,(H,14,15)
InChIKeyBFUZQBBVKTXNDS-UHFFFAOYSA-N
XLogP0.90
TPSA79.70 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500224.26
LogP ≤ 50.90
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

[1-[(5-methylfuran-2-yl)methyl]pyrrolidin-2-yl]methanamine
CID 82505300
5-[[(2R)-2-methylpiperidin-1-yl]methyl]furan-2-carboxylic acid
CID 42233591
5-[(2-methylpiperidin-1-yl)methyl]furan-2-carboxylic acid;hydrochloride
CID 171134030
5-(2,3,4,4a,5,6,7,7a-octahydrocyclopenta[b]pyridin-1-ylmethyl)furan-2-carbohydrazide
CID 65322215
[(2S)-1-[(4-iodophenyl)methyl]pyrrolidin-2-yl]methanamine
CID 90478034
[(2S)-1-benzylpyrrolidin-2-yl]methanamine;hydrochloride
CID 22856183
2-[1-[(5-bromofuran-2-yl)methyl]pyrrolidin-2-yl]acetic acid
CID 61372306
[(2R)-1-(furan-2-ylmethyl)pyrrolidin-2-yl]methanamine
CID 94011431
5-[(3-hydroxypiperidin-1-yl)methyl]furan-2-carboxylic acid
CID 61434674
5-(cyclopropylmethyl)furan-2-carboxylic acid
CID 83815892
oxalic acid;5-(piperidin-1-ylmethyl)furan-2-carboxylic acid
CID 45156284
[(2R)-1-[(4-fluorophenyl)methyl]pyrrolidin-2-yl]methanamine
CID 14709038

Frequently Asked Questions

What is the IUPAC name of 5-[[2-(aminomethyl)pyrrolidin-1-yl]methyl]furan-2-carboxylic acid?
The IUPAC name of 5-[[2-(aminomethyl)pyrrolidin-1-yl]methyl]furan-2-carboxylic acid (CID 115312700) is 5-[[2-(aminomethyl)pyrrolidin-1-yl]methyl]furan-2-carboxylic acid.
What is the SMILES notation for 5-[[2-(aminomethyl)pyrrolidin-1-yl]methyl]furan-2-carboxylic acid?
The canonical SMILES for 5-[[2-(aminomethyl)pyrrolidin-1-yl]methyl]furan-2-carboxylic acid is NCC1CCCN1Cc1ccc(C(=O)O)o1.
What is the InChIKey of 5-[[2-(aminomethyl)pyrrolidin-1-yl]methyl]furan-2-carboxylic acid?
The InChIKey is BFUZQBBVKTXNDS-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H16N2O3/c12-6-8-2-1-5-13(8)7-9-3-4-10(16-9)11(14)15/h3-4,8H,1-2,5-7,12H2,(H,14,15).
What are the key properties of 5-[[2-(aminomethyl)pyrrolidin-1-yl]methyl]furan-2-carboxylic acid?
5-[[2-(aminomethyl)pyrrolidin-1-yl]methyl]furan-2-carboxylic acid has a molecular weight of 224.26 g/mol, XLogP of 0.90, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[[2-(aminomethyl)pyrrolidin-1-yl]methyl]furan-2-carboxylic acid is sourced from PubChem (CID 115312700), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).