6-[[(2S)-oxolan-2-yl]methylamino]pyridine-2-carboxylic acid

C11H14N2O3 — CID 94378458

IUPAC6-[[(2S)-oxolan-2-yl]methylamino]pyridine-2-carboxylic acid
SMILESO=C(O)c1cccc(NC[C@@H]2CCCO2)n1
InChIInChI=1S/C11H14N2O3/c14-11(15)9-4-1-5-10(13-9)12-7-8-3-2-6-16-8/h1,4-5,8H,2-3,6-7H2,(H,12,13)(H,14,15)/t8-/m0/s1
InChIKeyZOTYUVDWEPRIFK-QMMMGPOBSA-N
MW222.24 g/mol
LogP1.37
Rot. Bonds4

About 6-[[(2S)-oxolan-2-yl]methylamino]pyridine-2-carboxylic acid

6-[[(2S)-oxolan-2-yl]methylamino]pyridine-2-carboxylic acid (PubChem CID 94378458) has the molecular formula C11H14N2O3 and a molecular weight of 222.24 g/mol. Its IUPAC name is 6-[[(2S)-oxolan-2-yl]methylamino]pyridine-2-carboxylic acid.

Molecular Properties

Compound Name6-[[(2S)-oxolan-2-yl]methylamino]pyridine-2-carboxylic acid
PubChem CID94378458
Molecular FormulaC11H14N2O3
Molecular Weight222.24 g/mol
Exact Mass222.10
IUPAC Name6-[[(2S)-oxolan-2-yl]methylamino]pyridine-2-carboxylic acid
SMILESO=C(O)c1cccc(NC[C@@H]2CCCO2)n1
InChIInChI=1S/C11H14N2O3/c14-11(15)9-4-1-5-10(13-9)12-7-8-3-2-6-16-8/h1,4-5,8H,2-3,6-7H2,(H,12,13)(H,14,15)/t8-/m0/s1
InChIKeyZOTYUVDWEPRIFK-QMMMGPOBSA-N
XLogP1.37
TPSA71.45 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500222.24
LogP ≤ 51.37
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

6-bromo-N-(oxolan-2-ylmethyl)pyridin-2-amine
CID 63961095
5-[[(2S)-oxolan-2-yl]methylamino]pyrazine-2-carboxylic acid
CID 166243247
6-[[(1R,2S)-2-hydroxycyclohexyl]methylamino]pyridine-2-carboxylic acid
CID 122057995
2-N,6-N-bis(oxolan-2-ylmethyl)pyridine-2,6-dicarboxamide
CID 4668561
6-(oxolan-2-ylmethylcarbamoylamino)pyridine-2-carboxamide
CID 167876369
6-hydrazinyl-N-(oxan-2-ylmethyl)pyridine-2-carboxamide
CID 62237897
6-[(2,2-dimethyloxan-4-yl)methylamino]pyridine-2-carboxylic acid
CID 122058138
6-[[3-(oxolane-2-carbonylamino)phenyl]methylamino]pyridine-2-carboxylic acid
CID 122047903
N-(2,6-dimethylphenyl)-2-methyl-6-(oxolan-2-ylmethylamino)pyrimidine-4-carboxamide
CID 109365751
6-(2-cyclohexylethylamino)pyridine-2-carboxylic acid
CID 55053035
6-(oxan-2-ylmethoxy)pyridine-2-carboxylic acid
CID 53256658
6-N-tert-butyl-2-N-(oxolan-2-ylmethyl)pyridine-2,6-dicarboxamide
CID 109096177

Frequently Asked Questions

What is the IUPAC name of 6-[[(2S)-oxolan-2-yl]methylamino]pyridine-2-carboxylic acid?
The IUPAC name of 6-[[(2S)-oxolan-2-yl]methylamino]pyridine-2-carboxylic acid (CID 94378458) is 6-[[(2S)-oxolan-2-yl]methylamino]pyridine-2-carboxylic acid.
What is the SMILES notation for 6-[[(2S)-oxolan-2-yl]methylamino]pyridine-2-carboxylic acid?
The canonical SMILES for 6-[[(2S)-oxolan-2-yl]methylamino]pyridine-2-carboxylic acid is O=C(O)c1cccc(NC[C@@H]2CCCO2)n1.
What is the InChIKey of 6-[[(2S)-oxolan-2-yl]methylamino]pyridine-2-carboxylic acid?
The InChIKey is ZOTYUVDWEPRIFK-QMMMGPOBSA-N. The full InChI is InChI=1S/C11H14N2O3/c14-11(15)9-4-1-5-10(13-9)12-7-8-3-2-6-16-8/h1,4-5,8H,2-3,6-7H2,(H,12,13)(H,14,15)/t8-/m0/s1.
What are the key properties of 6-[[(2S)-oxolan-2-yl]methylamino]pyridine-2-carboxylic acid?
6-[[(2S)-oxolan-2-yl]methylamino]pyridine-2-carboxylic acid has a molecular weight of 222.24 g/mol, XLogP of 1.37, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 6-[[(2S)-oxolan-2-yl]methylamino]pyridine-2-carboxylic acid is sourced from PubChem (CID 94378458), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).