5-[[(2S)-oxolane-2-carbonyl]amino]pyridine-2-carboxylic acid

C11H12N2O4 — CID 104855894

IUPAC5-[[(2S)-oxolane-2-carbonyl]amino]pyridine-2-carboxylic acid
SMILESO=C(O)c1ccc(NC(=O)[C@@H]2CCCO2)cn1
InChIInChI=1S/C11H12N2O4/c14-10(9-2-1-5-17-9)13-7-3-4-8(11(15)16)12-6-7/h3-4,6,9H,1-2,5H2,(H,13,14)(H,15,16)/t9-/m0/s1
InChIKeyGCXPDCWMYGJVGL-VIFPVBQESA-N
MW236.23 g/mol
LogP0.90
Rot. Bonds3

About 5-[[(2S)-oxolane-2-carbonyl]amino]pyridine-2-carboxylic acid

5-[[(2S)-oxolane-2-carbonyl]amino]pyridine-2-carboxylic acid (PubChem CID 104855894) has the molecular formula C11H12N2O4 and a molecular weight of 236.23 g/mol. Its IUPAC name is 5-[[(2S)-oxolane-2-carbonyl]amino]pyridine-2-carboxylic acid.

Molecular Properties

Compound Name5-[[(2S)-oxolane-2-carbonyl]amino]pyridine-2-carboxylic acid
PubChem CID104855894
Molecular FormulaC11H12N2O4
Molecular Weight236.23 g/mol
Exact Mass236.08
IUPAC Name5-[[(2S)-oxolane-2-carbonyl]amino]pyridine-2-carboxylic acid
SMILESO=C(O)c1ccc(NC(=O)[C@@H]2CCCO2)cn1
InChIInChI=1S/C11H12N2O4/c14-10(9-2-1-5-17-9)13-7-3-4-8(11(15)16)12-6-7/h3-4,6,9H,1-2,5H2,(H,13,14)(H,15,16)/t9-/m0/s1
InChIKeyGCXPDCWMYGJVGL-VIFPVBQESA-N
XLogP0.90
TPSA88.52 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500236.23
LogP ≤ 50.90
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

5-methyl-N-[4-[[(2S)-oxolane-2-carbonyl]amino]phenyl]pyrazine-2-carboxamide
CID 37396639
(2S)-N-(6-methoxy-3-pyridinyl)oxolane-2-carboxamide
CID 34666491
N-phenyloxolane-2-carboxamide
CID 3453643
N-[6-(ethylamino)-3-pyridinyl]oxolane-2-carboxamide
CID 115268574
(2R)-N-[6-(4-methylpiperidin-1-yl)-3-pyridinyl]oxolane-2-carboxamide
CID 42417081
2-methyl-4-[[(2R)-oxolane-2-carbonyl]amino]benzoic acid
CID 104855634
2-methyl-5-(oxolane-2-carbonylamino)benzoic acid
CID 63652254
N-(4-anilinophenyl)oxolane-2-carboxamide
CID 4690010
5-[[(2S)-oxolane-2-carbonyl]amino]benzene-1,3-dicarboxylic acid
CID 893641
(2R)-N-[2-(4-chlorophenyl)pyrimidin-5-yl]oxolane-2-carboxamide
CID 95100497
N-(4-benzoylphenyl)oxolane-2-carboxamide
CID 11839657
2-hydroxy-4-(oxolane-2-carbonylamino)benzoic acid
CID 16775215

Frequently Asked Questions

What is the IUPAC name of 5-[[(2S)-oxolane-2-carbonyl]amino]pyridine-2-carboxylic acid?
The IUPAC name of 5-[[(2S)-oxolane-2-carbonyl]amino]pyridine-2-carboxylic acid (CID 104855894) is 5-[[(2S)-oxolane-2-carbonyl]amino]pyridine-2-carboxylic acid.
What is the SMILES notation for 5-[[(2S)-oxolane-2-carbonyl]amino]pyridine-2-carboxylic acid?
The canonical SMILES for 5-[[(2S)-oxolane-2-carbonyl]amino]pyridine-2-carboxylic acid is O=C(O)c1ccc(NC(=O)[C@@H]2CCCO2)cn1.
What is the InChIKey of 5-[[(2S)-oxolane-2-carbonyl]amino]pyridine-2-carboxylic acid?
The InChIKey is GCXPDCWMYGJVGL-VIFPVBQESA-N. The full InChI is InChI=1S/C11H12N2O4/c14-10(9-2-1-5-17-9)13-7-3-4-8(11(15)16)12-6-7/h3-4,6,9H,1-2,5H2,(H,13,14)(H,15,16)/t9-/m0/s1.
What are the key properties of 5-[[(2S)-oxolane-2-carbonyl]amino]pyridine-2-carboxylic acid?
5-[[(2S)-oxolane-2-carbonyl]amino]pyridine-2-carboxylic acid has a molecular weight of 236.23 g/mol, XLogP of 0.90, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[[(2S)-oxolane-2-carbonyl]amino]pyridine-2-carboxylic acid is sourced from PubChem (CID 104855894), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).