methane;3-[[(2Z)-2-methoxyimino-2-[2-(2-oxopropyl)-1,3-thiazol-4-yl]acetyl]amino]-2,2-dimethyl-4-oxoazetidine-1-sulfonic acid

C15H22N4O7S2 — CID 172939374

IUPACmethane;3-[[(2Z)-2-methoxyimino-2-[2-(2-oxopropyl)-1,3-thiazol-4-yl]acetyl]amino]-2,2-dimethyl-4-oxoazetidine-1-sulfonic acid
SMILESC.CO/N=C(\C(=O)NC1C(=O)N(S(=O)(=O)O)C1(C)C)c1csc(CC(C)=O)n1
InChIInChI=1S/C14H18N4O7S2.CH4/c1-7(19)5-9-15-8(6-26-9)10(17-25-4)12(20)16-11-13(21)18(14(11,2)3)27(22,23)24;/h6,11H,5H2,1-4H3,(H,16,20)(H,22,23,24);1H4/b17-10-;
InChIKeyDEXZFHPYNRQASH-HVHKRRFMSA-N
MW434.50 g/mol
LogP0.17
Rot. Bonds7

About methane;3-[[(2Z)-2-methoxyimino-2-[2-(2-oxopropyl)-1,3-thiazol-4-yl]acetyl]amino]-2,2-dimethyl-4-oxoazetidine-1-sulfonic acid

methane;3-[[(2Z)-2-methoxyimino-2-[2-(2-oxopropyl)-1,3-thiazol-4-yl]acetyl]amino]-2,2-dimethyl-4-oxoazetidine-1-sulfonic acid (PubChem CID 172939374) has the molecular formula C15H22N4O7S2 and a molecular weight of 434.50 g/mol. Its IUPAC name is methane;3-[[(2Z)-2-methoxyimino-2-[2-(2-oxopropyl)-1,3-thiazol-4-yl]acetyl]amino]-2,2-dimethyl-4-oxoazetidine-1-sulfonic acid.

Molecular Properties

Compound Namemethane;3-[[(2Z)-2-methoxyimino-2-[2-(2-oxopropyl)-1,3-thiazol-4-yl]acetyl]amino]-2,2-dimethyl-4-oxoazetidine-1-sulfonic acid
PubChem CID172939374
Molecular FormulaC15H22N4O7S2
Molecular Weight434.50 g/mol
Exact Mass434.09
IUPAC Namemethane;3-[[(2Z)-2-methoxyimino-2-[2-(2-oxopropyl)-1,3-thiazol-4-yl]acetyl]amino]-2,2-dimethyl-4-oxoazetidine-1-sulfonic acid
SMILESC.CO/N=C(\C(=O)NC1C(=O)N(S(=O)(=O)O)C1(C)C)c1csc(CC(C)=O)n1
InChIInChI=1S/C14H18N4O7S2.CH4/c1-7(19)5-9-15-8(6-26-9)10(17-25-4)12(20)16-11-13(21)18(14(11,2)3)27(22,23)24;/h6,11H,5H2,1-4H3,(H,16,20)(H,22,23,24);1H4/b17-10-;
InChIKeyDEXZFHPYNRQASH-HVHKRRFMSA-N
XLogP0.17
TPSA155.33 Ų
H-Bond Donors2
H-Bond Acceptors9
Rotatable Bonds7
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500434.50
LogP ≤ 50.17
H-Bond Donors ≤ 52
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'}, {'alert_name': 'Sulfonic_acid_2', 'substructure': 'N/A'}

Analyze methane;3-[[(2Z)-2-methoxyimino-2-[2-(2-oxopropyl)-1,3-thiazol-4-yl]acetyl]amino]-2,2-dimethyl-4-oxoazetidine-1-sulfonic acid with MolForge

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Related Compounds

(2R,3R)-3-[[(2Z)-2-(2-amino-1,3-thiazol-4-yl)-2-methoxyiminoacetyl]amino]-2-(hydroxymethyl)-4-oxoazetidine-1-sulfonic acid
CID 88628878
2-acetyl-3-[[(2Z)-2-(2-amino-1,3-thiazol-4-yl)-2-methoxyiminoacetyl]amino]-4-oxoazetidine-1-sulfonic acid
CID 88627608
3-[[(2Z)-2-(2-amino-1,3-thiazol-4-yl)-2-methoxyiminoacetyl]amino]-2-ethyl-4-oxoazetidine-1-sulfonic acid
CID 88647240
(2R,3S)-3-[[2-(2-amino-1,3-thiazol-4-yl)-2-methoxyiminoacetyl]amino]-2-(nitrosomethyl)-4-oxoazetidine-1-sulfonic acid
CID 57194232
(2R,3S)-3-[[(2Z)-2-(2-amino-1,3-thiazol-4-yl)-2-methoxyiminoacetyl]amino]-2-ethynyl-4-oxoazetidine-1-sulfonic acid
CID 88615525
(2R,3R)-3-[[2-(2-amino-1,3-thiazol-4-yl)-2-methoxyiminoacetyl]amino]-2-(chloromethyl)-4-oxoazetidine-1-sulfonic acid
CID 88629226
3-[[(2Z)-2-(2-amino-1,3-thiazol-4-yl)-2-methoxyiminoacetyl]amino]-2-(fluoromethyl)-4-oxoazetidine-1-sulfonic acid
CID 19992087
sodium;2-(acetyloxymethyl)-3-[[(2Z)-2-(2-amino-1,3-thiazol-4-yl)-2-methoxyiminoacetyl]amino]-4-oxoazetidine-1-sulfonic acid;hydride
CID 173396556
3-[[(2Z)-2-(2-amino-1,3-thiazol-4-yl)-2-methoxyiminoacetyl]amino]-2-(methylsulfanylmethyl)-4-oxoazetidine-1-sulfonic acid
CID 21244945
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
(2R,3R)-3-[[2-(2-amino-1,3-thiazol-4-yl)-2-methoxyiminoacetyl]amino]-2-(methylcarbamoyl)-4-oxoazetidine-1-sulfonic acid
CID 88627832
sodium;(2S,3S)-3-[[(2Z)-2-(2-amino-1,3-thiazol-4-yl)-2-methoxyiminoacetyl]amino]-2-(2,2-dimethyl-1,3-dioxolan-4-yl)-4-oxoazetidine-1-sulfonic acid;hydride
CID 173406210

Frequently Asked Questions

What is the IUPAC name of methane;3-[[(2Z)-2-methoxyimino-2-[2-(2-oxopropyl)-1,3-thiazol-4-yl]acetyl]amino]-2,2-dimethyl-4-oxoazetidine-1-sulfonic acid?
The IUPAC name of methane;3-[[(2Z)-2-methoxyimino-2-[2-(2-oxopropyl)-1,3-thiazol-4-yl]acetyl]amino]-2,2-dimethyl-4-oxoazetidine-1-sulfonic acid (CID 172939374) is methane;3-[[(2Z)-2-methoxyimino-2-[2-(2-oxopropyl)-1,3-thiazol-4-yl]acetyl]amino]-2,2-dimethyl-4-oxoazetidine-1-sulfonic acid.
What is the SMILES notation for methane;3-[[(2Z)-2-methoxyimino-2-[2-(2-oxopropyl)-1,3-thiazol-4-yl]acetyl]amino]-2,2-dimethyl-4-oxoazetidine-1-sulfonic acid?
The canonical SMILES for methane;3-[[(2Z)-2-methoxyimino-2-[2-(2-oxopropyl)-1,3-thiazol-4-yl]acetyl]amino]-2,2-dimethyl-4-oxoazetidine-1-sulfonic acid is C.CO/N=C(\C(=O)NC1C(=O)N(S(=O)(=O)O)C1(C)C)c1csc(CC(C)=O)n1.
What is the InChIKey of methane;3-[[(2Z)-2-methoxyimino-2-[2-(2-oxopropyl)-1,3-thiazol-4-yl]acetyl]amino]-2,2-dimethyl-4-oxoazetidine-1-sulfonic acid?
The InChIKey is DEXZFHPYNRQASH-HVHKRRFMSA-N. The full InChI is InChI=1S/C14H18N4O7S2.CH4/c1-7(19)5-9-15-8(6-26-9)10(17-25-4)12(20)16-11-13(21)18(14(11,2)3)27(22,23)24;/h6,11H,5H2,1-4H3,(H,16,20)(H,22,23,24);1H4/b17-10-;.
What are the key properties of methane;3-[[(2Z)-2-methoxyimino-2-[2-(2-oxopropyl)-1,3-thiazol-4-yl]acetyl]amino]-2,2-dimethyl-4-oxoazetidine-1-sulfonic acid?
methane;3-[[(2Z)-2-methoxyimino-2-[2-(2-oxopropyl)-1,3-thiazol-4-yl]acetyl]amino]-2,2-dimethyl-4-oxoazetidine-1-sulfonic acid has a molecular weight of 434.50 g/mol, XLogP of 0.17, 7 rotatable bonds, 2 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for methane;3-[[(2Z)-2-methoxyimino-2-[2-(2-oxopropyl)-1,3-thiazol-4-yl]acetyl]amino]-2,2-dimethyl-4-oxoazetidine-1-sulfonic acid is sourced from PubChem (CID 172939374), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).