potassium;2-[3-[[2-(2-amino-1,3-thiazol-4-yl)-2-methoxyiminoacetyl]amino]-2-oxoazetidin-1-yl]oxyacetic acid;hydride

C11H14KN5O6S — CID 173373425

IUPACpotassium;2-[3-[[2-(2-amino-1,3-thiazol-4-yl)-2-methoxyiminoacetyl]amino]-2-oxoazetidin-1-yl]oxyacetic acid;hydride
SMILESCON=C(C(=O)NC1CN(OCC(=O)O)C1=O)c1csc(N)n1.[H-].[K+]
InChIInChI=1S/C11H13N5O6S.K.H/c1-21-15-8(6-4-23-11(12)14-6)9(19)13-5-2-16(10(5)20)22-3-7(17)18;;/h4-5H,2-3H2,1H3,(H2,12,14)(H,13,19)(H,17,18);;/q;+1;-1
InChIKeyLNMDWNWKFSBLFU-UHFFFAOYSA-N
MW383.43 g/mol
LogP-4.46
Rot. Bonds7

About potassium;2-[3-[[2-(2-amino-1,3-thiazol-4-yl)-2-methoxyiminoacetyl]amino]-2-oxoazetidin-1-yl]oxyacetic acid;hydride

potassium;2-[3-[[2-(2-amino-1,3-thiazol-4-yl)-2-methoxyiminoacetyl]amino]-2-oxoazetidin-1-yl]oxyacetic acid;hydride (PubChem CID 173373425) has the molecular formula C11H14KN5O6S and a molecular weight of 383.43 g/mol. Its IUPAC name is potassium;2-[3-[[2-(2-amino-1,3-thiazol-4-yl)-2-methoxyiminoacetyl]amino]-2-oxoazetidin-1-yl]oxyacetic acid;hydride.

Molecular Properties

Compound Namepotassium;2-[3-[[2-(2-amino-1,3-thiazol-4-yl)-2-methoxyiminoacetyl]amino]-2-oxoazetidin-1-yl]oxyacetic acid;hydride
PubChem CID173373425
Molecular FormulaC11H14KN5O6S
Molecular Weight383.43 g/mol
Exact Mass383.03
IUPAC Namepotassium;2-[3-[[2-(2-amino-1,3-thiazol-4-yl)-2-methoxyiminoacetyl]amino]-2-oxoazetidin-1-yl]oxyacetic acid;hydride
SMILESCON=C(C(=O)NC1CN(OCC(=O)O)C1=O)c1csc(N)n1.[H-].[K+]
InChIInChI=1S/C11H13N5O6S.K.H/c1-21-15-8(6-4-23-11(12)14-6)9(19)13-5-2-16(10(5)20)22-3-7(17)18;;/h4-5H,2-3H2,1H3,(H2,12,14)(H,13,19)(H,17,18);;/q;+1;-1
InChIKeyLNMDWNWKFSBLFU-UHFFFAOYSA-N
XLogP-4.46
TPSA156.44 Ų
H-Bond Donors3
H-Bond Acceptors9
Rotatable Bonds7
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500383.43
LogP ≤ 5-4.46
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 109

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

2-[3-[[2-(2-amino-1,3-thiazol-4-yl)-2-methoxyiminoacetyl]amino]-2-methyl-4-oxoazetidin-1-yl]oxyacetic acid
CID 3047808
2-[(2R,3R)-3-[[2-(2-amino-1,3-thiazol-4-yl)-2-methoxyiminoacetyl]amino]-2-methyl-4-oxoazetidin-1-yl]oxyacetic acid
CID 88514651
potassium (3S)-3-[[(2Z)-2-(2-amino-1,3-thiazol-4-yl)-2-methoxyiminoacetyl]amino]-2-oxoazetidine-1-sulfonate
CID 23680750
(2Z)-2-(2-amino-1,3-thiazol-4-yl)-2-methoxyimino-N-[5-oxo-3-(trifluoromethyl)-6,7-dihydro-1H-pyrazolo[1,2-a]pyrazol-6-yl]acetamide
CID 139656936
(2R)-2-[[(2Z)-2-(2-amino-1,3-thiazol-4-yl)-2-methoxyiminoacetyl]amino]-3-oxo-6-propanoyl-2,7-dihydro-1H-pyrazolo[1,2-a]pyrazole-5-carboxylic acid
CID 14973525
(2R)-2-[[(2Z)-2-(2-amino-1,3-thiazol-4-yl)-2-methoxyiminoacetyl]amino]-6-methoxycarbonyl-3-oxo-1,2,7,8-tetrahydropyrazolo[1,2-a]pyridazine-5-carboxylic acid
CID 14201993
(2Z)-2-(2-amino-1,3-thiazol-4-yl)-2-methoxyimino-N-[1-(methylsulfonylcarbamothioyl)-2-oxoazetidin-3-yl]acetamide
CID 23322455
potassium 2-[(E)-[1-(2-amino-1,3-thiazol-4-yl)-2-[[(3S)-1-[hydroxy(methyl)phosphoryl]oxy-2-oxoazetidin-3-yl]amino]-2-oxoethylidene]amino]oxy-2-methylpropanoate
CID 70695259
(2S)-2-[[(2Z)-2-(2-amino-1,3-thiazol-4-yl)-2-methoxyiminoacetyl]amino]-6-(1-carboxyethyl)-3-oxo-2,7-dihydro-1H-pyrazolo[1,2-a]pyrazole-5-carboxylic acid
CID 88527143
2-[4-[[2-(2-amino-1,3-thiazol-4-yl)-2-methoxyiminoacetyl]amino]-3-oxo-1,2-oxazolidin-2-yl]-5-oxooxolane-2-carboxylic acid
CID 173385444
[(2S,3S)-3-[[2-(2-amino-1,3-thiazol-4-yl)-2-methoxyiminoacetyl]amino]-2-methyl-4-oxoazetidin-1-yl]oxymethylphosphonic acid
CID 57237713
2-[(2S,3R)-3-[[(2Z)-2-(2-amino-1,3-thiazol-4-yl)-2-methoxyiminoacetyl]amino]-4-oxo-1-sulfoazetidin-2-yl]sulfanylacetic acid
CID 88754857

Frequently Asked Questions

What is the IUPAC name of potassium;2-[3-[[2-(2-amino-1,3-thiazol-4-yl)-2-methoxyiminoacetyl]amino]-2-oxoazetidin-1-yl]oxyacetic acid;hydride?
The IUPAC name of potassium;2-[3-[[2-(2-amino-1,3-thiazol-4-yl)-2-methoxyiminoacetyl]amino]-2-oxoazetidin-1-yl]oxyacetic acid;hydride (CID 173373425) is potassium;2-[3-[[2-(2-amino-1,3-thiazol-4-yl)-2-methoxyiminoacetyl]amino]-2-oxoazetidin-1-yl]oxyacetic acid;hydride.
What is the SMILES notation for potassium;2-[3-[[2-(2-amino-1,3-thiazol-4-yl)-2-methoxyiminoacetyl]amino]-2-oxoazetidin-1-yl]oxyacetic acid;hydride?
The canonical SMILES for potassium;2-[3-[[2-(2-amino-1,3-thiazol-4-yl)-2-methoxyiminoacetyl]amino]-2-oxoazetidin-1-yl]oxyacetic acid;hydride is CON=C(C(=O)NC1CN(OCC(=O)O)C1=O)c1csc(N)n1.[H-].[K+].
What is the InChIKey of potassium;2-[3-[[2-(2-amino-1,3-thiazol-4-yl)-2-methoxyiminoacetyl]amino]-2-oxoazetidin-1-yl]oxyacetic acid;hydride?
The InChIKey is LNMDWNWKFSBLFU-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H13N5O6S.K.H/c1-21-15-8(6-4-23-11(12)14-6)9(19)13-5-2-16(10(5)20)22-3-7(17)18;;/h4-5H,2-3H2,1H3,(H2,12,14)(H,13,19)(H,17,18);;/q;+1;-1.
What are the key properties of potassium;2-[3-[[2-(2-amino-1,3-thiazol-4-yl)-2-methoxyiminoacetyl]amino]-2-oxoazetidin-1-yl]oxyacetic acid;hydride?
potassium;2-[3-[[2-(2-amino-1,3-thiazol-4-yl)-2-methoxyiminoacetyl]amino]-2-oxoazetidin-1-yl]oxyacetic acid;hydride has a molecular weight of 383.43 g/mol, XLogP of -4.46, 7 rotatable bonds, 3 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for potassium;2-[3-[[2-(2-amino-1,3-thiazol-4-yl)-2-methoxyiminoacetyl]amino]-2-oxoazetidin-1-yl]oxyacetic acid;hydride is sourced from PubChem (CID 173373425), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).