methyl 6-(2-oxa-6-azaspiro[3.3]heptan-6-yl)pyridine-2-carboxylate

C12H14N2O3 — CID 172806493

IUPACmethyl 6-(2-oxa-6-azaspiro[3.3]heptan-6-yl)pyridine-2-carboxylate
SMILESCOC(=O)c1cccc(N2CC3(COC3)C2)n1
InChIInChI=1S/C12H14N2O3/c1-16-11(15)9-3-2-4-10(13-9)14-5-12(6-14)7-17-8-12/h2-4H,5-8H2,1H3
InChIKeyROVQDNBSHDVHFS-UHFFFAOYSA-N
MW234.25 g/mol
LogP0.70
Rot. Bonds2

About methyl 6-(2-oxa-6-azaspiro[3.3]heptan-6-yl)pyridine-2-carboxylate

methyl 6-(2-oxa-6-azaspiro[3.3]heptan-6-yl)pyridine-2-carboxylate (PubChem CID 172806493) has the molecular formula C12H14N2O3 and a molecular weight of 234.25 g/mol. Its IUPAC name is methyl 6-(2-oxa-6-azaspiro[3.3]heptan-6-yl)pyridine-2-carboxylate.

Molecular Properties

Compound Namemethyl 6-(2-oxa-6-azaspiro[3.3]heptan-6-yl)pyridine-2-carboxylate
PubChem CID172806493
Molecular FormulaC12H14N2O3
Molecular Weight234.25 g/mol
Exact Mass234.10
IUPAC Namemethyl 6-(2-oxa-6-azaspiro[3.3]heptan-6-yl)pyridine-2-carboxylate
SMILESCOC(=O)c1cccc(N2CC3(COC3)C2)n1
InChIInChI=1S/C12H14N2O3/c1-16-11(15)9-3-2-4-10(13-9)14-5-12(6-14)7-17-8-12/h2-4H,5-8H2,1H3
InChIKeyROVQDNBSHDVHFS-UHFFFAOYSA-N
XLogP0.70
TPSA51.66 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500234.25
LogP ≤ 50.70
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

methyl 6-(2,6-dimethylmorpholin-4-yl)pyridine-2-carboxylate
CID 123942155
methyl 6-(3,3-dimethylpiperazin-1-yl)pyridine-2-carboxylate
CID 134372059
methyl 6-[3-(4-fluorophenyl)-3-hydroxypyrrolidin-1-yl]pyridine-2-carboxylate
CID 126806929
methyl 4-(2-oxa-6-azaspiro[3.3]heptan-6-yl)benzoate
CID 138543041
methyl 6-(cyclopropylmethoxy)-5-(2-oxa-6-azaspiro[3.3]heptan-6-yl)pyridine-2-carboxylate
CID 118418684
2-acetamido-N-methyl-2-[6-(2-oxa-6-azaspiro[3.3]heptan-6-yl)-2-pyridinyl]acetamide;ethane
CID 170758393
methyl 6-(morpholine-4-carbonyl)pyridine-2-carboxylate
CID 47244996
methyl 6-acetylpyridine-2-carboxylate
CID 11412711
methyl 6-(4,6-dimorpholin-4-yl-1,3,5-triazin-2-yl)pyridine-2-carboxylate
CID 58508119
N-(2-methoxyphenyl)-6-morpholin-4-ylpyridine-2-carboxamide
CID 84573867
6-(3-oxa-9-azaspiro[5.5]undecan-9-yl)pyridine-2-carboxylic acid
CID 122057283
ethyl 6-piperidin-1-ylpyridine-2-carboxylate
CID 146501154

Frequently Asked Questions

What is the IUPAC name of methyl 6-(2-oxa-6-azaspiro[3.3]heptan-6-yl)pyridine-2-carboxylate?
The IUPAC name of methyl 6-(2-oxa-6-azaspiro[3.3]heptan-6-yl)pyridine-2-carboxylate (CID 172806493) is methyl 6-(2-oxa-6-azaspiro[3.3]heptan-6-yl)pyridine-2-carboxylate.
What is the SMILES notation for methyl 6-(2-oxa-6-azaspiro[3.3]heptan-6-yl)pyridine-2-carboxylate?
The canonical SMILES for methyl 6-(2-oxa-6-azaspiro[3.3]heptan-6-yl)pyridine-2-carboxylate is COC(=O)c1cccc(N2CC3(COC3)C2)n1.
What is the InChIKey of methyl 6-(2-oxa-6-azaspiro[3.3]heptan-6-yl)pyridine-2-carboxylate?
The InChIKey is ROVQDNBSHDVHFS-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H14N2O3/c1-16-11(15)9-3-2-4-10(13-9)14-5-12(6-14)7-17-8-12/h2-4H,5-8H2,1H3.
What are the key properties of methyl 6-(2-oxa-6-azaspiro[3.3]heptan-6-yl)pyridine-2-carboxylate?
methyl 6-(2-oxa-6-azaspiro[3.3]heptan-6-yl)pyridine-2-carboxylate has a molecular weight of 234.25 g/mol, XLogP of 0.70, 2 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 6-(2-oxa-6-azaspiro[3.3]heptan-6-yl)pyridine-2-carboxylate is sourced from PubChem (CID 172806493), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).