oxolan-2-ylmethyl 3-aminopyridine-2-carboxylate

C11H14N2O3 — CID 103993274

IUPACoxolan-2-ylmethyl 3-aminopyridine-2-carboxylate
SMILESNc1cccnc1C(=O)OCC1CCCO1
InChIInChI=1S/C11H14N2O3/c12-9-4-1-5-13-10(9)11(14)16-7-8-3-2-6-15-8/h1,4-5,8H,2-3,6-7,12H2
InChIKeyDPGFQHZRJAKCHE-UHFFFAOYSA-N
MW222.24 g/mol
LogP1.00
Rot. Bonds3

About oxolan-2-ylmethyl 3-aminopyridine-2-carboxylate

oxolan-2-ylmethyl 3-aminopyridine-2-carboxylate (PubChem CID 103993274) has the molecular formula C11H14N2O3 and a molecular weight of 222.24 g/mol. Its IUPAC name is oxolan-2-ylmethyl 3-aminopyridine-2-carboxylate.

Molecular Properties

Compound Nameoxolan-2-ylmethyl 3-aminopyridine-2-carboxylate
PubChem CID103993274
Molecular FormulaC11H14N2O3
Molecular Weight222.24 g/mol
Exact Mass222.10
IUPAC Nameoxolan-2-ylmethyl 3-aminopyridine-2-carboxylate
SMILESNc1cccnc1C(=O)OCC1CCCO1
InChIInChI=1S/C11H14N2O3/c12-9-4-1-5-13-10(9)11(14)16-7-8-3-2-6-15-8/h1,4-5,8H,2-3,6-7,12H2
InChIKeyDPGFQHZRJAKCHE-UHFFFAOYSA-N
XLogP1.00
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 ≤ 51.00
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze oxolan-2-ylmethyl 3-aminopyridine-2-carboxylate 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

oxolan-2-ylmethyl 3-aminopyrazine-2-carboxylate
CID 60730655
cyclopentylmethyl 3-aminopyridine-2-carboxylate
CID 103993262
oxolan-2-ylmethyl pyridine-3-carboxylate
CID 6260
oxolan-2-ylmethyl pyridine-4-carboxylate
CID 533036
oxan-2-ylmethyl 2-fluoropyridine-3-carboxylate
CID 107271843
oxolan-2-ylmethyl 4-aminobenzoate
CID 21240891
2-cyclobutylethyl 3-aminopyridine-2-carboxylate
CID 106202957
oxolan-2-ylmethyl furan-2-carboxylate
CID 551325
oxolan-2-ylmethyl 2-(2-aminophenyl)acetate
CID 61308884
oxolan-2-ylmethyl 2-chloropyridine-4-carboxylate
CID 60704497
oxolan-2-ylmethyl 4-amino-1-methylpyrazole-3-carboxylate
CID 65355547
2-(oxolan-2-ylmethylsulfonyl)pyridin-3-amine
CID 61367073

Frequently Asked Questions

What is the IUPAC name of oxolan-2-ylmethyl 3-aminopyridine-2-carboxylate?
The IUPAC name of oxolan-2-ylmethyl 3-aminopyridine-2-carboxylate (CID 103993274) is oxolan-2-ylmethyl 3-aminopyridine-2-carboxylate.
What is the SMILES notation for oxolan-2-ylmethyl 3-aminopyridine-2-carboxylate?
The canonical SMILES for oxolan-2-ylmethyl 3-aminopyridine-2-carboxylate is Nc1cccnc1C(=O)OCC1CCCO1.
What is the InChIKey of oxolan-2-ylmethyl 3-aminopyridine-2-carboxylate?
The InChIKey is DPGFQHZRJAKCHE-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H14N2O3/c12-9-4-1-5-13-10(9)11(14)16-7-8-3-2-6-15-8/h1,4-5,8H,2-3,6-7,12H2.
What are the key properties of oxolan-2-ylmethyl 3-aminopyridine-2-carboxylate?
oxolan-2-ylmethyl 3-aminopyridine-2-carboxylate has a molecular weight of 222.24 g/mol, XLogP of 1.00, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for oxolan-2-ylmethyl 3-aminopyridine-2-carboxylate is sourced from PubChem (CID 103993274), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).