potassium (2S,5R,6R)-6-[2-(furan-2-yl)-1-hydroxy-2-oxoethyl]-3,3-dimethyl-7-oxo-4-thia-1-azabicyclo[3.2.0]heptane-2-carboxylate

C14H14KNO6S — CID 70347777

IUPACpotassium (2S,5R,6R)-6-[2-(furan-2-yl)-1-hydroxy-2-oxoethyl]-3,3-dimethyl-7-oxo-4-thia-1-azabicyclo[3.2.0]heptane-2-carboxylate
SMILESCC1(C)S[C@@H]2[C@H](C(O)C(=O)c3ccco3)C(=O)N2[C@H]1C(=O)[O-].[K+]
InChIInChI=1S/C14H15NO6S.K/c1-14(2)10(13(19)20)15-11(18)7(12(15)22-14)9(17)8(16)6-4-3-5-21-6;/h3-5,7,9-10,12,17H,1-2H3,(H,19,20);/q;+1/p-1/t7-,9?,10+,12-;/m1./s1
InChIKeyPFULPYSZMNVKEX-ZZQBSQCGSA-M
MW363.43 g/mol
LogP-3.74
Rot. Bonds4

About potassium (2S,5R,6R)-6-[2-(furan-2-yl)-1-hydroxy-2-oxoethyl]-3,3-dimethyl-7-oxo-4-thia-1-azabicyclo[3.2.0]heptane-2-carboxylate

potassium (2S,5R,6R)-6-[2-(furan-2-yl)-1-hydroxy-2-oxoethyl]-3,3-dimethyl-7-oxo-4-thia-1-azabicyclo[3.2.0]heptane-2-carboxylate (PubChem CID 70347777) has the molecular formula C14H14KNO6S and a molecular weight of 363.43 g/mol. Its IUPAC name is potassium (2S,5R,6R)-6-[2-(furan-2-yl)-1-hydroxy-2-oxoethyl]-3,3-dimethyl-7-oxo-4-thia-1-azabicyclo[3.2.0]heptane-2-carboxylate.

Molecular Properties

Compound Namepotassium (2S,5R,6R)-6-[2-(furan-2-yl)-1-hydroxy-2-oxoethyl]-3,3-dimethyl-7-oxo-4-thia-1-azabicyclo[3.2.0]heptane-2-carboxylate
PubChem CID70347777
Molecular FormulaC14H14KNO6S
Molecular Weight363.43 g/mol
Exact Mass363.02
IUPAC Namepotassium (2S,5R,6R)-6-[2-(furan-2-yl)-1-hydroxy-2-oxoethyl]-3,3-dimethyl-7-oxo-4-thia-1-azabicyclo[3.2.0]heptane-2-carboxylate
SMILESCC1(C)S[C@@H]2[C@H](C(O)C(=O)c3ccco3)C(=O)N2[C@H]1C(=O)[O-].[K+]
InChIInChI=1S/C14H15NO6S.K/c1-14(2)10(13(19)20)15-11(18)7(12(15)22-14)9(17)8(16)6-4-3-5-21-6;/h3-5,7,9-10,12,17H,1-2H3,(H,19,20);/q;+1/p-1/t7-,9?,10+,12-;/m1./s1
InChIKeyPFULPYSZMNVKEX-ZZQBSQCGSA-M
XLogP-3.74
TPSA110.88 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500363.43
LogP ≤ 5-3.74
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

Analyze potassium (2S,5R,6R)-6-[2-(furan-2-yl)-1-hydroxy-2-oxoethyl]-3,3-dimethyl-7-oxo-4-thia-1-azabicyclo[3.2.0]heptane-2-carboxylate with MolForge

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Related Compounds

(2S,5R,6R)-6-[(1S)-2-(furan-2-yl)-1-hydroxy-2-oxoethyl]-3,3-dimethyl-7-oxo-4-thia-1-azabicyclo[3.2.0]heptane-2-carboxylic acid
CID 70348141
potassium (2S,5R,6R)-6-[(1S)-1-hydroxy-2-oxo-3-phenylpropyl]-3,3-dimethyl-7-oxo-4-thia-1-azabicyclo[3.2.0]heptane-2-carboxylate
CID 70347816
potassium (2S,5R,6R)-6-[(1S)-2-(4-aminophenyl)-1-hydroxy-2-oxoethyl]-3,3-dimethyl-7-oxo-4-thia-1-azabicyclo[3.2.0]heptane-2-carboxylate
CID 70348022
potassium (2S,5R,6R)-6-[(1S)-1-hydroxy-2-naphthalen-2-yl-2-oxoethyl]-3,3-dimethyl-7-oxo-4-thia-1-azabicyclo[3.2.0]heptane-2-carboxylate
CID 70347779
potassium (2S,5R,6R)-6-[1-hydroxy-2-(4-methoxyphenyl)-2-oxoethyl]-3,3-dimethyl-7-oxo-4-thia-1-azabicyclo[3.2.0]heptane-2-carboxylate
CID 70348128
potassium (2S,5R,6R)-6-[(1S)-2-(4-cyanophenyl)-1-hydroxy-2-oxoethyl]-3,3-dimethyl-7-oxo-4-thia-1-azabicyclo[3.2.0]heptane-2-carboxylate
CID 70347760
(2S,5R,6R)-6-[2-[4-(dimethylamino)phenyl]-1-hydroxy-2-oxoethyl]-3,3-dimethyl-7-oxo-4-thia-1-azabicyclo[3.2.0]heptane-2-carboxylic acid
CID 70347776
(2S,5R,6R)-6-[(1R)-1-hydroxy-2-(2-methoxyphenyl)-2-oxoethyl]-3,3-dimethyl-7-oxo-4-thia-1-azabicyclo[3.2.0]heptane-2-carboxylic acid
CID 70347728
potassium (2S,5R,6R)-6-[(S)-hydroxy-(3-methylbenzo[f]benzimidazol-2-yl)methyl]-3,3-dimethyl-7-oxo-4-thia-1-azabicyclo[3.2.0]heptane-2-carboxylate
CID 23665476
sodium (2S,5R,6R)-6-[[(2R)-2-(furan-2-carbonyloxy)-4-methylpentanoyl]amino]-3,3-dimethyl-7-oxo-4-thia-1-azabicyclo[3.2.0]heptane-2-carboxylate
CID 46835904
potassium (2S,5R,6R)-6-[(S)-hydroxy-(1-phenylbenzimidazol-2-yl)methyl]-3,3-dimethyl-7-oxo-4-thia-1-azabicyclo[3.2.0]heptane-2-carboxylate
CID 23709973
benzyl (2S,5R,6S)-6-(1-hydroxy-2-oxo-2-phenylmethoxyethyl)-3,3-dimethyl-7-oxo-4-thia-1-azabicyclo[3.2.0]heptane-2-carboxylate
CID 70457133

Frequently Asked Questions

What is the IUPAC name of potassium (2S,5R,6R)-6-[2-(furan-2-yl)-1-hydroxy-2-oxoethyl]-3,3-dimethyl-7-oxo-4-thia-1-azabicyclo[3.2.0]heptane-2-carboxylate?
The IUPAC name of potassium (2S,5R,6R)-6-[2-(furan-2-yl)-1-hydroxy-2-oxoethyl]-3,3-dimethyl-7-oxo-4-thia-1-azabicyclo[3.2.0]heptane-2-carboxylate (CID 70347777) is potassium (2S,5R,6R)-6-[2-(furan-2-yl)-1-hydroxy-2-oxoethyl]-3,3-dimethyl-7-oxo-4-thia-1-azabicyclo[3.2.0]heptane-2-carboxylate.
What is the SMILES notation for potassium (2S,5R,6R)-6-[2-(furan-2-yl)-1-hydroxy-2-oxoethyl]-3,3-dimethyl-7-oxo-4-thia-1-azabicyclo[3.2.0]heptane-2-carboxylate?
The canonical SMILES for potassium (2S,5R,6R)-6-[2-(furan-2-yl)-1-hydroxy-2-oxoethyl]-3,3-dimethyl-7-oxo-4-thia-1-azabicyclo[3.2.0]heptane-2-carboxylate is CC1(C)S[C@@H]2[C@H](C(O)C(=O)c3ccco3)C(=O)N2[C@H]1C(=O)[O-].[K+].
What is the InChIKey of potassium (2S,5R,6R)-6-[2-(furan-2-yl)-1-hydroxy-2-oxoethyl]-3,3-dimethyl-7-oxo-4-thia-1-azabicyclo[3.2.0]heptane-2-carboxylate?
The InChIKey is PFULPYSZMNVKEX-ZZQBSQCGSA-M. The full InChI is InChI=1S/C14H15NO6S.K/c1-14(2)10(13(19)20)15-11(18)7(12(15)22-14)9(17)8(16)6-4-3-5-21-6;/h3-5,7,9-10,12,17H,1-2H3,(H,19,20);/q;+1/p-1/t7-,9?,10+,12-;/m1./s1.
What are the key properties of potassium (2S,5R,6R)-6-[2-(furan-2-yl)-1-hydroxy-2-oxoethyl]-3,3-dimethyl-7-oxo-4-thia-1-azabicyclo[3.2.0]heptane-2-carboxylate?
potassium (2S,5R,6R)-6-[2-(furan-2-yl)-1-hydroxy-2-oxoethyl]-3,3-dimethyl-7-oxo-4-thia-1-azabicyclo[3.2.0]heptane-2-carboxylate has a molecular weight of 363.43 g/mol, XLogP of -3.74, 4 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for potassium (2S,5R,6R)-6-[2-(furan-2-yl)-1-hydroxy-2-oxoethyl]-3,3-dimethyl-7-oxo-4-thia-1-azabicyclo[3.2.0]heptane-2-carboxylate is sourced from PubChem (CID 70347777), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).