oxolan-2-ylmethyl 5-amino-2-methylpyridine-3-carboxylate

C12H16N2O3 — CID 61310245

IUPACoxolan-2-ylmethyl 5-amino-2-methylpyridine-3-carboxylate
SMILESCc1ncc(N)cc1C(=O)OCC1CCCO1
InChIInChI=1S/C12H16N2O3/c1-8-11(5-9(13)6-14-8)12(15)17-7-10-3-2-4-16-10/h5-6,10H,2-4,7,13H2,1H3
InChIKeySGVCTOMRGHDLHN-UHFFFAOYSA-N
MW236.27 g/mol
LogP1.31
Rot. Bonds3

About oxolan-2-ylmethyl 5-amino-2-methylpyridine-3-carboxylate

oxolan-2-ylmethyl 5-amino-2-methylpyridine-3-carboxylate (PubChem CID 61310245) has the molecular formula C12H16N2O3 and a molecular weight of 236.27 g/mol. Its IUPAC name is oxolan-2-ylmethyl 5-amino-2-methylpyridine-3-carboxylate.

Molecular Properties

Compound Nameoxolan-2-ylmethyl 5-amino-2-methylpyridine-3-carboxylate
PubChem CID61310245
Molecular FormulaC12H16N2O3
Molecular Weight236.27 g/mol
Exact Mass236.12
IUPAC Nameoxolan-2-ylmethyl 5-amino-2-methylpyridine-3-carboxylate
SMILESCc1ncc(N)cc1C(=O)OCC1CCCO1
InChIInChI=1S/C12H16N2O3/c1-8-11(5-9(13)6-14-8)12(15)17-7-10-3-2-4-16-10/h5-6,10H,2-4,7,13H2,1H3
InChIKeySGVCTOMRGHDLHN-UHFFFAOYSA-N
XLogP1.31
TPSA74.44 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500236.27
LogP ≤ 51.31
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze oxolan-2-ylmethyl 5-amino-2-methylpyridine-3-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

(4-methylmorpholin-2-yl)methyl 5-amino-2-methylpyridine-3-carboxylate
CID 79182560
5-amino-2-methyl-N-[2-(oxolan-2-yl)ethyl]pyridine-3-carboxamide
CID 61126144
oxolan-2-ylmethyl 4-aminobenzoate
CID 21240891
oxolan-2-ylmethyl 3-aminopyrazine-2-carboxylate
CID 60730655
oxolan-2-ylmethyl 5-amino-2,4-difluorobenzoate
CID 61279294
oxolan-2-ylmethyl 3-aminopyridine-2-carboxylate
CID 103993274
2-(oxolan-2-yl)ethyl 5-amino-2-methylbenzoate
CID 65166146
oxolan-2-ylmethyl 2,6-dichloropyridine-4-carboxylate
CID 63841492
oxan-2-ylmethyl 3-amino-4-methylbenzoate
CID 60730857
2-O-(oxolan-2-ylmethyl) 1-O-propyl benzene-1,2-dicarboxylate
CID 6421085
oxolan-2-ylmethyl pyridine-4-carboxylate
CID 533036
[(2R)-oxolan-2-yl]methyl 2-bromobenzoate
CID 2375210

Frequently Asked Questions

What is the IUPAC name of oxolan-2-ylmethyl 5-amino-2-methylpyridine-3-carboxylate?
The IUPAC name of oxolan-2-ylmethyl 5-amino-2-methylpyridine-3-carboxylate (CID 61310245) is oxolan-2-ylmethyl 5-amino-2-methylpyridine-3-carboxylate.
What is the SMILES notation for oxolan-2-ylmethyl 5-amino-2-methylpyridine-3-carboxylate?
The canonical SMILES for oxolan-2-ylmethyl 5-amino-2-methylpyridine-3-carboxylate is Cc1ncc(N)cc1C(=O)OCC1CCCO1.
What is the InChIKey of oxolan-2-ylmethyl 5-amino-2-methylpyridine-3-carboxylate?
The InChIKey is SGVCTOMRGHDLHN-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H16N2O3/c1-8-11(5-9(13)6-14-8)12(15)17-7-10-3-2-4-16-10/h5-6,10H,2-4,7,13H2,1H3.
What are the key properties of oxolan-2-ylmethyl 5-amino-2-methylpyridine-3-carboxylate?
oxolan-2-ylmethyl 5-amino-2-methylpyridine-3-carboxylate has a molecular weight of 236.27 g/mol, XLogP of 1.31, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for oxolan-2-ylmethyl 5-amino-2-methylpyridine-3-carboxylate is sourced from PubChem (CID 61310245), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).