2-[(3-aminopyrrolidin-1-yl)methyl]-5-hydroxypyran-4-one

C10H14N2O3 — CID 62068490

IUPAC2-[(3-aminopyrrolidin-1-yl)methyl]-5-hydroxypyran-4-one
SMILESNC1CCN(Cc2cc(=O)c(O)co2)C1
InChIInChI=1S/C10H14N2O3/c11-7-1-2-12(4-7)5-8-3-9(13)10(14)6-15-8/h3,6-7,14H,1-2,4-5,11H2
InChIKeyIAOBJTMWOCFBHC-UHFFFAOYSA-N
MW210.23 g/mol
LogP-0.12
Rot. Bonds2

About 2-[(3-aminopyrrolidin-1-yl)methyl]-5-hydroxypyran-4-one

2-[(3-aminopyrrolidin-1-yl)methyl]-5-hydroxypyran-4-one (PubChem CID 62068490) has the molecular formula C10H14N2O3 and a molecular weight of 210.23 g/mol. Its IUPAC name is 2-[(3-aminopyrrolidin-1-yl)methyl]-5-hydroxypyran-4-one.

Molecular Properties

Compound Name2-[(3-aminopyrrolidin-1-yl)methyl]-5-hydroxypyran-4-one
PubChem CID62068490
Molecular FormulaC10H14N2O3
Molecular Weight210.23 g/mol
Exact Mass210.10
IUPAC Name2-[(3-aminopyrrolidin-1-yl)methyl]-5-hydroxypyran-4-one
SMILESNC1CCN(Cc2cc(=O)c(O)co2)C1
InChIInChI=1S/C10H14N2O3/c11-7-1-2-12(4-7)5-8-3-9(13)10(14)6-15-8/h3,6-7,14H,1-2,4-5,11H2
InChIKeyIAOBJTMWOCFBHC-UHFFFAOYSA-N
XLogP-0.12
TPSA79.70 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500210.23
LogP ≤ 5-0.12
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Analyze 2-[(3-aminopyrrolidin-1-yl)methyl]-5-hydroxypyran-4-one with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

5-hydroxy-2-[[(3R)-3-hydroxypyrrolidin-1-yl]methyl]pyran-4-one
CID 78995679
2-[[1-[(5-hydroxy-4-oxopyran-2-yl)methyl]piperidin-3-yl]methylamino]acetic acid
CID 106813854
2-[1-[(5-hydroxy-4-oxopyran-2-yl)methyl]piperidin-4-yl]-N-methyl-N-propan-2-ylacetamide
CID 75372461
2-(1,2,3,4,4a,5,7,7a-octahydropyrrolo[3,4-b]pyridin-6-ylmethyl)-5-hydroxypyran-4-one
CID 102682029
3-amino-1-[(5-hydroxy-4-oxopyran-2-yl)methyl]pyrrolidine-3-carboxylic acid
CID 107324929
1-(furan-2-ylmethyl)pyrrolidin-3-amine;dihydrochloride
CID 53422470
2-[[2-(aminomethyl)-4-methylpiperidin-1-yl]methyl]-5-hydroxypyran-4-one
CID 103442139
4-[(3-aminopyrrolidin-1-yl)methyl]benzene-1,3-diol
CID 62069032
5-hydroxy-2-[[2-(hydroxymethyl)-3-methylpyrrolidin-1-yl]methyl]pyran-4-one
CID 102788993
5-[[3-(hydroxymethyl)pyrrolidin-1-yl]methyl]furan-3-carboxylic acid
CID 112626150
2-[[4-(1,3-benzodioxol-5-ylmethyl)piperazin-1-yl]methyl]-5-hydroxypyran-4-one;hydrochloride
CID 52995448
1-[(4-methylfuran-2-yl)methyl]azetidin-3-amine
CID 82414098

Frequently Asked Questions

What is the IUPAC name of 2-[(3-aminopyrrolidin-1-yl)methyl]-5-hydroxypyran-4-one?
The IUPAC name of 2-[(3-aminopyrrolidin-1-yl)methyl]-5-hydroxypyran-4-one (CID 62068490) is 2-[(3-aminopyrrolidin-1-yl)methyl]-5-hydroxypyran-4-one.
What is the SMILES notation for 2-[(3-aminopyrrolidin-1-yl)methyl]-5-hydroxypyran-4-one?
The canonical SMILES for 2-[(3-aminopyrrolidin-1-yl)methyl]-5-hydroxypyran-4-one is NC1CCN(Cc2cc(=O)c(O)co2)C1.
What is the InChIKey of 2-[(3-aminopyrrolidin-1-yl)methyl]-5-hydroxypyran-4-one?
The InChIKey is IAOBJTMWOCFBHC-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H14N2O3/c11-7-1-2-12(4-7)5-8-3-9(13)10(14)6-15-8/h3,6-7,14H,1-2,4-5,11H2.
What are the key properties of 2-[(3-aminopyrrolidin-1-yl)methyl]-5-hydroxypyran-4-one?
2-[(3-aminopyrrolidin-1-yl)methyl]-5-hydroxypyran-4-one has a molecular weight of 210.23 g/mol, XLogP of -0.12, 2 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(3-aminopyrrolidin-1-yl)methyl]-5-hydroxypyran-4-one is sourced from PubChem (CID 62068490), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).