potassium (4S,5R,6S)-6-[(1R)-1-hydroxyethyl]-4-methyl-7-oxo-3-pyridin-3-yl-1-azabicyclo[3.2.0]hept-2-ene-2-carboxylate

C15H15KN2O4 — CID 73345213

IUPACpotassium (4S,5R,6S)-6-[(1R)-1-hydroxyethyl]-4-methyl-7-oxo-3-pyridin-3-yl-1-azabicyclo[3.2.0]hept-2-ene-2-carboxylate
SMILESC[C@@H](O)[C@H]1C(=O)N2C(C(=O)[O-])=C(c3cccnc3)[C@H](C)[C@H]12.[K+]
InChIInChI=1S/C15H16N2O4.K/c1-7-10(9-4-3-5-16-6-9)13(15(20)21)17-12(7)11(8(2)18)14(17)19;/h3-8,11-12,18H,1-2H3,(H,20,21);/q;+1/p-1/t7-,8+,11+,12+;/m0./s1
InChIKeyGIKKEVYGLMFXRF-YAGKOGONSA-M
MW326.39 g/mol
LogP-3.60
Rot. Bonds3

About potassium (4S,5R,6S)-6-[(1R)-1-hydroxyethyl]-4-methyl-7-oxo-3-pyridin-3-yl-1-azabicyclo[3.2.0]hept-2-ene-2-carboxylate

potassium (4S,5R,6S)-6-[(1R)-1-hydroxyethyl]-4-methyl-7-oxo-3-pyridin-3-yl-1-azabicyclo[3.2.0]hept-2-ene-2-carboxylate (PubChem CID 73345213) has the molecular formula C15H15KN2O4 and a molecular weight of 326.39 g/mol. Its IUPAC name is potassium (4S,5R,6S)-6-[(1R)-1-hydroxyethyl]-4-methyl-7-oxo-3-pyridin-3-yl-1-azabicyclo[3.2.0]hept-2-ene-2-carboxylate.

Molecular Properties

Compound Namepotassium (4S,5R,6S)-6-[(1R)-1-hydroxyethyl]-4-methyl-7-oxo-3-pyridin-3-yl-1-azabicyclo[3.2.0]hept-2-ene-2-carboxylate
PubChem CID73345213
Molecular FormulaC15H15KN2O4
Molecular Weight326.39 g/mol
Exact Mass326.07
IUPAC Namepotassium (4S,5R,6S)-6-[(1R)-1-hydroxyethyl]-4-methyl-7-oxo-3-pyridin-3-yl-1-azabicyclo[3.2.0]hept-2-ene-2-carboxylate
SMILESC[C@@H](O)[C@H]1C(=O)N2C(C(=O)[O-])=C(c3cccnc3)[C@H](C)[C@H]12.[K+]
InChIInChI=1S/C15H16N2O4.K/c1-7-10(9-4-3-5-16-6-9)13(15(20)21)17-12(7)11(8(2)18)14(17)19;/h3-8,11-12,18H,1-2H3,(H,20,21);/q;+1/p-1/t7-,8+,11+,12+;/m0./s1
InChIKeyGIKKEVYGLMFXRF-YAGKOGONSA-M
XLogP-3.60
TPSA93.56 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500326.39
LogP ≤ 5-3.60
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze potassium (4S,5R,6S)-6-[(1R)-1-hydroxyethyl]-4-methyl-7-oxo-3-pyridin-3-yl-1-azabicyclo[3.2.0]hept-2-ene-2-carboxylate with MolForge

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Frequently Asked Questions

What is the IUPAC name of potassium (4S,5R,6S)-6-[(1R)-1-hydroxyethyl]-4-methyl-7-oxo-3-pyridin-3-yl-1-azabicyclo[3.2.0]hept-2-ene-2-carboxylate?
The IUPAC name of potassium (4S,5R,6S)-6-[(1R)-1-hydroxyethyl]-4-methyl-7-oxo-3-pyridin-3-yl-1-azabicyclo[3.2.0]hept-2-ene-2-carboxylate (CID 73345213) is potassium (4S,5R,6S)-6-[(1R)-1-hydroxyethyl]-4-methyl-7-oxo-3-pyridin-3-yl-1-azabicyclo[3.2.0]hept-2-ene-2-carboxylate.
What is the SMILES notation for potassium (4S,5R,6S)-6-[(1R)-1-hydroxyethyl]-4-methyl-7-oxo-3-pyridin-3-yl-1-azabicyclo[3.2.0]hept-2-ene-2-carboxylate?
The canonical SMILES for potassium (4S,5R,6S)-6-[(1R)-1-hydroxyethyl]-4-methyl-7-oxo-3-pyridin-3-yl-1-azabicyclo[3.2.0]hept-2-ene-2-carboxylate is C[C@@H](O)[C@H]1C(=O)N2C(C(=O)[O-])=C(c3cccnc3)[C@H](C)[C@H]12.[K+].
What is the InChIKey of potassium (4S,5R,6S)-6-[(1R)-1-hydroxyethyl]-4-methyl-7-oxo-3-pyridin-3-yl-1-azabicyclo[3.2.0]hept-2-ene-2-carboxylate?
The InChIKey is GIKKEVYGLMFXRF-YAGKOGONSA-M. The full InChI is InChI=1S/C15H16N2O4.K/c1-7-10(9-4-3-5-16-6-9)13(15(20)21)17-12(7)11(8(2)18)14(17)19;/h3-8,11-12,18H,1-2H3,(H,20,21);/q;+1/p-1/t7-,8+,11+,12+;/m0./s1.
What are the key properties of potassium (4S,5R,6S)-6-[(1R)-1-hydroxyethyl]-4-methyl-7-oxo-3-pyridin-3-yl-1-azabicyclo[3.2.0]hept-2-ene-2-carboxylate?
potassium (4S,5R,6S)-6-[(1R)-1-hydroxyethyl]-4-methyl-7-oxo-3-pyridin-3-yl-1-azabicyclo[3.2.0]hept-2-ene-2-carboxylate has a molecular weight of 326.39 g/mol, XLogP of -3.60, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for potassium (4S,5R,6S)-6-[(1R)-1-hydroxyethyl]-4-methyl-7-oxo-3-pyridin-3-yl-1-azabicyclo[3.2.0]hept-2-ene-2-carboxylate is sourced from PubChem (CID 73345213), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).