1-[(Z)-[1-(2-amino-1,3-thiazol-4-yl)-2-methoxy-2-oxoethylidene]amino]oxycyclopropane-1-carboxylic acid

C10H11N3O5S — CID 164916050

IUPAC1-[(Z)-[1-(2-amino-1,3-thiazol-4-yl)-2-methoxy-2-oxoethylidene]amino]oxycyclopropane-1-carboxylic acid
SMILESCOC(=O)/C(=N\OC1(C(=O)O)CC1)c1csc(N)n1
InChIInChI=1S/C10H11N3O5S/c1-17-7(14)6(5-4-19-9(11)12-5)13-18-10(2-3-10)8(15)16/h4H,2-3H2,1H3,(H2,11,12)(H,15,16)/b13-6-
InChIKeyYDTQBHPMLYBQSV-MLPAPPSSSA-N
MW285.28 g/mol
LogP0.24
Rot. Bonds5

About 1-[(Z)-[1-(2-amino-1,3-thiazol-4-yl)-2-methoxy-2-oxoethylidene]amino]oxycyclopropane-1-carboxylic acid

1-[(Z)-[1-(2-amino-1,3-thiazol-4-yl)-2-methoxy-2-oxoethylidene]amino]oxycyclopropane-1-carboxylic acid (PubChem CID 164916050) has the molecular formula C10H11N3O5S and a molecular weight of 285.28 g/mol. Its IUPAC name is 1-[(Z)-[1-(2-amino-1,3-thiazol-4-yl)-2-methoxy-2-oxoethylidene]amino]oxycyclopropane-1-carboxylic acid.

Molecular Properties

Compound Name1-[(Z)-[1-(2-amino-1,3-thiazol-4-yl)-2-methoxy-2-oxoethylidene]amino]oxycyclopropane-1-carboxylic acid
PubChem CID164916050
Molecular FormulaC10H11N3O5S
Molecular Weight285.28 g/mol
Exact Mass285.04
IUPAC Name1-[(Z)-[1-(2-amino-1,3-thiazol-4-yl)-2-methoxy-2-oxoethylidene]amino]oxycyclopropane-1-carboxylic acid
SMILESCOC(=O)/C(=N\OC1(C(=O)O)CC1)c1csc(N)n1
InChIInChI=1S/C10H11N3O5S/c1-17-7(14)6(5-4-19-9(11)12-5)13-18-10(2-3-10)8(15)16/h4H,2-3H2,1H3,(H2,11,12)(H,15,16)/b13-6-
InChIKeyYDTQBHPMLYBQSV-MLPAPPSSSA-N
XLogP0.24
TPSA124.10 Ų
H-Bond Donors2
H-Bond Acceptors8
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500285.28
LogP ≤ 50.24
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 108

Computed Properties (RDKit)

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

Analyze 1-[(Z)-[1-(2-amino-1,3-thiazol-4-yl)-2-methoxy-2-oxoethylidene]amino]oxycyclopropane-1-carboxylic acid with MolForge

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

Launch Full Analysis

Related Compounds

1-[[1-(2-amino-1,3-thiazol-4-yl)-2-[[(2S,3R)-2-(fluoromethyl)-4-oxo-1-sulfoazetidin-3-yl]amino]-2-oxoethylidene]amino]oxycyclopropane-1-carboxylic acid
CID 171319129
1-[(Z)-[2-[[(2R,3S)-2-(aminomethyl)-4-oxo-1-sulfoazetidin-3-yl]amino]-1-(2-amino-1,3-thiazol-4-yl)-2-oxoethylidene]amino]oxycyclopropane-1-carboxylic acid
CID 167171337
bromo 2-(2-amino-1,3-thiazol-4-yl)-2-methoxyiminoacetate
CID 174309981
methylsulfonyl (2Z)-2-(2-amino-1,3-thiazol-4-yl)-2-methoxyiminoacetate
CID 90408096
(2Z)-2-(2-amino-1,3-thiazol-4-yl)-2-methoxyiminoethanethioic S-acid;benzene
CID 174852867
2-(2-amino-1,3-thiazol-4-yl)-2-methoxyiminoacetamide
CID 53423102
1-(2-amino-1,3-thiazol-4-yl)-1-methoxyiminopropan-2-one
CID 74007850
1-[[1-(2-amino-1,3-thiazol-4-yl)-2-[[2-(fluoromethyl)-4-oxo-1-(tetrazol-1-yl)azetidin-3-yl]amino]-2-oxoethylidene]amino]oxycyclopentane-1-carboxylic acid
CID 88622507
cyclopentyl 2-(2-amino-1,3-thiazol-4-yl)-2-methoxyiminoacetate
CID 139881164
1-[(Z)-[1-(2-amino-1,3-thiazol-4-yl)-2-[[2-[[4-(methylaminomethyl)triazol-2-yl]methyl]-4-oxo-1-sulfoazetidin-3-yl]amino]-2-oxoethylidene]amino]oxycyclopropane-1-carboxylic acid
CID 139321730
1-[(Z)-[1-(2-amino-1,3-thiazol-4-yl)-2-oxo-2-[[(4R)-2-oxo-4-[(2-oxo-1,3-oxazolidin-3-yl)methyl]-1-sulfoazetidin-3-yl]amino]ethylidene]amino]oxycyclopropane-1-carboxylic acid
CID 126732629
1-[(Z)-[1-(2-amino-1,3-thiazol-4-yl)-2-oxo-2-[[(3S,4R)-2-oxo-4-[(2-oxo-1,3-oxazolidin-3-yl)methyl]-1-sulfoazetidin-3-yl]amino]ethylidene]amino]oxycyclopropane-1-carboxylic acid
CID 155284440

Frequently Asked Questions

What is the IUPAC name of 1-[(Z)-[1-(2-amino-1,3-thiazol-4-yl)-2-methoxy-2-oxoethylidene]amino]oxycyclopropane-1-carboxylic acid?
The IUPAC name of 1-[(Z)-[1-(2-amino-1,3-thiazol-4-yl)-2-methoxy-2-oxoethylidene]amino]oxycyclopropane-1-carboxylic acid (CID 164916050) is 1-[(Z)-[1-(2-amino-1,3-thiazol-4-yl)-2-methoxy-2-oxoethylidene]amino]oxycyclopropane-1-carboxylic acid.
What is the SMILES notation for 1-[(Z)-[1-(2-amino-1,3-thiazol-4-yl)-2-methoxy-2-oxoethylidene]amino]oxycyclopropane-1-carboxylic acid?
The canonical SMILES for 1-[(Z)-[1-(2-amino-1,3-thiazol-4-yl)-2-methoxy-2-oxoethylidene]amino]oxycyclopropane-1-carboxylic acid is COC(=O)/C(=N\OC1(C(=O)O)CC1)c1csc(N)n1.
What is the InChIKey of 1-[(Z)-[1-(2-amino-1,3-thiazol-4-yl)-2-methoxy-2-oxoethylidene]amino]oxycyclopropane-1-carboxylic acid?
The InChIKey is YDTQBHPMLYBQSV-MLPAPPSSSA-N. The full InChI is InChI=1S/C10H11N3O5S/c1-17-7(14)6(5-4-19-9(11)12-5)13-18-10(2-3-10)8(15)16/h4H,2-3H2,1H3,(H2,11,12)(H,15,16)/b13-6-.
What are the key properties of 1-[(Z)-[1-(2-amino-1,3-thiazol-4-yl)-2-methoxy-2-oxoethylidene]amino]oxycyclopropane-1-carboxylic acid?
1-[(Z)-[1-(2-amino-1,3-thiazol-4-yl)-2-methoxy-2-oxoethylidene]amino]oxycyclopropane-1-carboxylic acid has a molecular weight of 285.28 g/mol, XLogP of 0.24, 5 rotatable bonds, 2 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(Z)-[1-(2-amino-1,3-thiazol-4-yl)-2-methoxy-2-oxoethylidene]amino]oxycyclopropane-1-carboxylic acid is sourced from PubChem (CID 164916050), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).