oxolan-3-yl 5-(aminomethyl)pyridine-2-carboxylate

C11H14N2O3 — CID 81099251

IUPACoxolan-3-yl 5-(aminomethyl)pyridine-2-carboxylate
SMILESNCc1ccc(C(=O)OC2CCOC2)nc1
InChIInChI=1S/C11H14N2O3/c12-5-8-1-2-10(13-6-8)11(14)16-9-3-4-15-7-9/h1-2,6,9H,3-5,7,12H2
InChIKeyGRRQXSBSGURSHY-UHFFFAOYSA-N
MW222.24 g/mol
LogP0.49
Rot. Bonds3

About oxolan-3-yl 5-(aminomethyl)pyridine-2-carboxylate

oxolan-3-yl 5-(aminomethyl)pyridine-2-carboxylate (PubChem CID 81099251) has the molecular formula C11H14N2O3 and a molecular weight of 222.24 g/mol. Its IUPAC name is oxolan-3-yl 5-(aminomethyl)pyridine-2-carboxylate.

Molecular Properties

Compound Nameoxolan-3-yl 5-(aminomethyl)pyridine-2-carboxylate
PubChem CID81099251
Molecular FormulaC11H14N2O3
Molecular Weight222.24 g/mol
Exact Mass222.10
IUPAC Nameoxolan-3-yl 5-(aminomethyl)pyridine-2-carboxylate
SMILESNCc1ccc(C(=O)OC2CCOC2)nc1
InChIInChI=1S/C11H14N2O3/c12-5-8-1-2-10(13-6-8)11(14)16-9-3-4-15-7-9/h1-2,6,9H,3-5,7,12H2
InChIKeyGRRQXSBSGURSHY-UHFFFAOYSA-N
XLogP0.49
TPSA74.44 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500222.24
LogP ≤ 50.49
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of oxolan-3-yl 5-(aminomethyl)pyridine-2-carboxylate?
The IUPAC name of oxolan-3-yl 5-(aminomethyl)pyridine-2-carboxylate (CID 81099251) is oxolan-3-yl 5-(aminomethyl)pyridine-2-carboxylate.
What is the SMILES notation for oxolan-3-yl 5-(aminomethyl)pyridine-2-carboxylate?
The canonical SMILES for oxolan-3-yl 5-(aminomethyl)pyridine-2-carboxylate is NCc1ccc(C(=O)OC2CCOC2)nc1.
What is the InChIKey of oxolan-3-yl 5-(aminomethyl)pyridine-2-carboxylate?
The InChIKey is GRRQXSBSGURSHY-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H14N2O3/c12-5-8-1-2-10(13-6-8)11(14)16-9-3-4-15-7-9/h1-2,6,9H,3-5,7,12H2.
What are the key properties of oxolan-3-yl 5-(aminomethyl)pyridine-2-carboxylate?
oxolan-3-yl 5-(aminomethyl)pyridine-2-carboxylate has a molecular weight of 222.24 g/mol, XLogP of 0.49, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for oxolan-3-yl 5-(aminomethyl)pyridine-2-carboxylate is sourced from PubChem (CID 81099251), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).