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

C15H14KNO5 — CID 73352800

IUPACpotassium (5R,6S)-6-[(1R)-1-hydroxyethyl]-3-(4-hydroxyphenyl)-7-oxo-1-azabicyclo[3.2.0]hept-2-ene-2-carboxylate
SMILESC[C@@H](O)[C@H]1C(=O)N2C(C(=O)[O-])=C(c3ccc(O)cc3)C[C@H]12.[K+]
InChIInChI=1S/C15H15NO5.K/c1-7(17)12-11-6-10(8-2-4-9(18)5-3-8)13(15(20)21)16(11)14(12)19;/h2-5,7,11-12,17-18H,6H2,1H3,(H,20,21);/q;+1/p-1/t7-,11-,12-;/m1./s1
InChIKeyXGEPVUIUQBMMRW-HHAFIFMESA-M
MW327.38 g/mol
LogP-3.53
Rot. Bonds3

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

potassium (5R,6S)-6-[(1R)-1-hydroxyethyl]-3-(4-hydroxyphenyl)-7-oxo-1-azabicyclo[3.2.0]hept-2-ene-2-carboxylate (PubChem CID 73352800) has the molecular formula C15H14KNO5 and a molecular weight of 327.38 g/mol. Its IUPAC name is potassium (5R,6S)-6-[(1R)-1-hydroxyethyl]-3-(4-hydroxyphenyl)-7-oxo-1-azabicyclo[3.2.0]hept-2-ene-2-carboxylate.

Molecular Properties

Compound Namepotassium (5R,6S)-6-[(1R)-1-hydroxyethyl]-3-(4-hydroxyphenyl)-7-oxo-1-azabicyclo[3.2.0]hept-2-ene-2-carboxylate
PubChem CID73352800
Molecular FormulaC15H14KNO5
Molecular Weight327.38 g/mol
Exact Mass327.05
IUPAC Namepotassium (5R,6S)-6-[(1R)-1-hydroxyethyl]-3-(4-hydroxyphenyl)-7-oxo-1-azabicyclo[3.2.0]hept-2-ene-2-carboxylate
SMILESC[C@@H](O)[C@H]1C(=O)N2C(C(=O)[O-])=C(c3ccc(O)cc3)C[C@H]12.[K+]
InChIInChI=1S/C15H15NO5.K/c1-7(17)12-11-6-10(8-2-4-9(18)5-3-8)13(15(20)21)16(11)14(12)19;/h2-5,7,11-12,17-18H,6H2,1H3,(H,20,21);/q;+1/p-1/t7-,11-,12-;/m1./s1
InChIKeyXGEPVUIUQBMMRW-HHAFIFMESA-M
XLogP-3.53
TPSA100.90 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500327.38
LogP ≤ 5-3.53
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of potassium (5R,6S)-6-[(1R)-1-hydroxyethyl]-3-(4-hydroxyphenyl)-7-oxo-1-azabicyclo[3.2.0]hept-2-ene-2-carboxylate?
The IUPAC name of potassium (5R,6S)-6-[(1R)-1-hydroxyethyl]-3-(4-hydroxyphenyl)-7-oxo-1-azabicyclo[3.2.0]hept-2-ene-2-carboxylate (CID 73352800) is potassium (5R,6S)-6-[(1R)-1-hydroxyethyl]-3-(4-hydroxyphenyl)-7-oxo-1-azabicyclo[3.2.0]hept-2-ene-2-carboxylate.
What is the SMILES notation for potassium (5R,6S)-6-[(1R)-1-hydroxyethyl]-3-(4-hydroxyphenyl)-7-oxo-1-azabicyclo[3.2.0]hept-2-ene-2-carboxylate?
The canonical SMILES for potassium (5R,6S)-6-[(1R)-1-hydroxyethyl]-3-(4-hydroxyphenyl)-7-oxo-1-azabicyclo[3.2.0]hept-2-ene-2-carboxylate is C[C@@H](O)[C@H]1C(=O)N2C(C(=O)[O-])=C(c3ccc(O)cc3)C[C@H]12.[K+].
What is the InChIKey of potassium (5R,6S)-6-[(1R)-1-hydroxyethyl]-3-(4-hydroxyphenyl)-7-oxo-1-azabicyclo[3.2.0]hept-2-ene-2-carboxylate?
The InChIKey is XGEPVUIUQBMMRW-HHAFIFMESA-M. The full InChI is InChI=1S/C15H15NO5.K/c1-7(17)12-11-6-10(8-2-4-9(18)5-3-8)13(15(20)21)16(11)14(12)19;/h2-5,7,11-12,17-18H,6H2,1H3,(H,20,21);/q;+1/p-1/t7-,11-,12-;/m1./s1.
What are the key properties of potassium (5R,6S)-6-[(1R)-1-hydroxyethyl]-3-(4-hydroxyphenyl)-7-oxo-1-azabicyclo[3.2.0]hept-2-ene-2-carboxylate?
potassium (5R,6S)-6-[(1R)-1-hydroxyethyl]-3-(4-hydroxyphenyl)-7-oxo-1-azabicyclo[3.2.0]hept-2-ene-2-carboxylate has a molecular weight of 327.38 g/mol, XLogP of -3.53, 3 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for potassium (5R,6S)-6-[(1R)-1-hydroxyethyl]-3-(4-hydroxyphenyl)-7-oxo-1-azabicyclo[3.2.0]hept-2-ene-2-carboxylate is sourced from PubChem (CID 73352800), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).