2-[(Z)-[carboxy-[2-[2-[(2-methylpropan-2-yl)oxy]-2-oxoethyl]-1,3-thiazol-4-yl]methylidene]amino]oxy-2-methylpropanoic acid

C15H20N2O7S — CID 172917238

IUPAC2-[(Z)-[carboxy-[2-[2-[(2-methylpropan-2-yl)oxy]-2-oxoethyl]-1,3-thiazol-4-yl]methylidene]amino]oxy-2-methylpropanoic acid
SMILESCC(C)(C)OC(=O)Cc1nc(/C(=N/OC(C)(C)C(=O)O)C(=O)O)cs1
InChIInChI=1S/C15H20N2O7S/c1-14(2,3)23-10(18)6-9-16-8(7-25-9)11(12(19)20)17-24-15(4,5)13(21)22/h7H,6H2,1-5H3,(H,19,20)(H,21,22)/b17-11-
InChIKeyHUZOHFMAQGVYLQ-BOPFTXTBSA-N
MW372.40 g/mol
LogP1.70
Rot. Bonds7

About 2-[(Z)-[carboxy-[2-[2-[(2-methylpropan-2-yl)oxy]-2-oxoethyl]-1,3-thiazol-4-yl]methylidene]amino]oxy-2-methylpropanoic acid

2-[(Z)-[carboxy-[2-[2-[(2-methylpropan-2-yl)oxy]-2-oxoethyl]-1,3-thiazol-4-yl]methylidene]amino]oxy-2-methylpropanoic acid (PubChem CID 172917238) has the molecular formula C15H20N2O7S and a molecular weight of 372.40 g/mol. Its IUPAC name is 2-[(Z)-[carboxy-[2-[2-[(2-methylpropan-2-yl)oxy]-2-oxoethyl]-1,3-thiazol-4-yl]methylidene]amino]oxy-2-methylpropanoic acid.

Molecular Properties

Compound Name2-[(Z)-[carboxy-[2-[2-[(2-methylpropan-2-yl)oxy]-2-oxoethyl]-1,3-thiazol-4-yl]methylidene]amino]oxy-2-methylpropanoic acid
PubChem CID172917238
Molecular FormulaC15H20N2O7S
Molecular Weight372.40 g/mol
Exact Mass372.10
IUPAC Name2-[(Z)-[carboxy-[2-[2-[(2-methylpropan-2-yl)oxy]-2-oxoethyl]-1,3-thiazol-4-yl]methylidene]amino]oxy-2-methylpropanoic acid
SMILESCC(C)(C)OC(=O)Cc1nc(/C(=N/OC(C)(C)C(=O)O)C(=O)O)cs1
InChIInChI=1S/C15H20N2O7S/c1-14(2,3)23-10(18)6-9-16-8(7-25-9)11(12(19)20)17-24-15(4,5)13(21)22/h7H,6H2,1-5H3,(H,19,20)(H,21,22)/b17-11-
InChIKeyHUZOHFMAQGVYLQ-BOPFTXTBSA-N
XLogP1.70
TPSA135.38 Ų
H-Bond Donors2
H-Bond Acceptors8
Rotatable Bonds7
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500372.40
LogP ≤ 51.70
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 2-[(Z)-[carboxy-[2-[2-[(2-methylpropan-2-yl)oxy]-2-oxoethyl]-1,3-thiazol-4-yl]methylidene]amino]oxy-2-methylpropanoic acid with MolForge

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Related Compounds

(2Z)-2-(2-amino-1,3-thiazol-4-yl)-2-[2-[(2-methylpropan-2-yl)oxy]-2-oxoethoxy]iminoacetic acid
CID 10870340
2-(1-methoxy-2-methyl-1-oxopropan-2-yl)oxyimino-2-[2-[(2-methylpropan-2-yl)oxycarbonylamino]-1,3-thiazol-4-yl]acetic acid
CID 90693174
(2Z)-2-[3-[(2-methylpropan-2-yl)oxy]-3-oxopropoxy]imino-2-(2-methyl-1,3-thiazol-4-yl)acetic acid
CID 135193920
(2Z)-2-(2-amino-1,3-thiazol-4-yl)-2-[4-[(2-methylpropan-2-yl)oxy]-4-oxobutan-2-yl]oxyiminoacetic acid
CID 18942801
(2Z)-2-(1,3-dihydroxy-2-methylpropan-2-yl)oxyimino-2-(2-methyl-1,3-thiazol-4-yl)acetic acid
CID 135193885
(2Z)-2-(1-butoxy-2-methyl-1-oxopropan-2-yl)oxyimino-2-[2-[(2-methylpropan-2-yl)oxycarbonylamino]-1,3-thiazol-4-yl]acetic acid
CID 131977206
2-[(Z)-[(2-amino-1,3-oxazol-4-yl)-carboxymethylidene]amino]oxy-2-methylpropanoic acid
CID 88740524
2-[2-[(2-chloroacetyl)amino]-1,3-thiazol-4-yl]-2-[2-[(2-methylpropan-2-yl)oxy]-2-oxoethoxy]iminoacetic acid
CID 54419503
(2E)-2-(2-amino-1,3-thiazol-4-yl)-2-(1-methoxy-2-methyl-1-oxobutan-2-yl)oxyiminoacetic acid
CID 173205685
2-[(Z)-[3-[(6R,7R)-2-[1-[(4-methoxy-2-methylphenyl)methyl]tetrazol-5-yl]-8-oxo-3-pyridin-4-ylsulfanyl-5-thia-1-azabicyclo[4.2.0]oct-2-en-7-yl]-1-[2-[2-[(2-methylpropan-2-yl)oxy]-2-oxoethyl]-1,3-thiazol-4-yl]-2-oxopropylidene]amino]oxy-2-methylpropanoic acid
CID 172917239
2-[2-methoxy-1-[(2-methylpropan-2-yl)oxy]-1-oxopropan-2-yl]oxyimino-2-[2-(tritylamino)-1,3-thiazol-4-yl]acetic acid
CID 54066470
(2S,3S)-3-amino-2-[[(2Z)-2-(2-amino-1,3-thiazol-4-yl)-2-[2-methyl-1-[(2-methylpropan-2-yl)oxy]-1-oxopropan-2-yl]oxyiminoacetyl]amino]butanoic acid
CID 172973209

Frequently Asked Questions

What is the IUPAC name of 2-[(Z)-[carboxy-[2-[2-[(2-methylpropan-2-yl)oxy]-2-oxoethyl]-1,3-thiazol-4-yl]methylidene]amino]oxy-2-methylpropanoic acid?
The IUPAC name of 2-[(Z)-[carboxy-[2-[2-[(2-methylpropan-2-yl)oxy]-2-oxoethyl]-1,3-thiazol-4-yl]methylidene]amino]oxy-2-methylpropanoic acid (CID 172917238) is 2-[(Z)-[carboxy-[2-[2-[(2-methylpropan-2-yl)oxy]-2-oxoethyl]-1,3-thiazol-4-yl]methylidene]amino]oxy-2-methylpropanoic acid.
What is the SMILES notation for 2-[(Z)-[carboxy-[2-[2-[(2-methylpropan-2-yl)oxy]-2-oxoethyl]-1,3-thiazol-4-yl]methylidene]amino]oxy-2-methylpropanoic acid?
The canonical SMILES for 2-[(Z)-[carboxy-[2-[2-[(2-methylpropan-2-yl)oxy]-2-oxoethyl]-1,3-thiazol-4-yl]methylidene]amino]oxy-2-methylpropanoic acid is CC(C)(C)OC(=O)Cc1nc(/C(=N/OC(C)(C)C(=O)O)C(=O)O)cs1.
What is the InChIKey of 2-[(Z)-[carboxy-[2-[2-[(2-methylpropan-2-yl)oxy]-2-oxoethyl]-1,3-thiazol-4-yl]methylidene]amino]oxy-2-methylpropanoic acid?
The InChIKey is HUZOHFMAQGVYLQ-BOPFTXTBSA-N. The full InChI is InChI=1S/C15H20N2O7S/c1-14(2,3)23-10(18)6-9-16-8(7-25-9)11(12(19)20)17-24-15(4,5)13(21)22/h7H,6H2,1-5H3,(H,19,20)(H,21,22)/b17-11-.
What are the key properties of 2-[(Z)-[carboxy-[2-[2-[(2-methylpropan-2-yl)oxy]-2-oxoethyl]-1,3-thiazol-4-yl]methylidene]amino]oxy-2-methylpropanoic acid?
2-[(Z)-[carboxy-[2-[2-[(2-methylpropan-2-yl)oxy]-2-oxoethyl]-1,3-thiazol-4-yl]methylidene]amino]oxy-2-methylpropanoic acid has a molecular weight of 372.40 g/mol, XLogP of 1.70, 7 rotatable bonds, 2 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(Z)-[carboxy-[2-[2-[(2-methylpropan-2-yl)oxy]-2-oxoethyl]-1,3-thiazol-4-yl]methylidene]amino]oxy-2-methylpropanoic acid is sourced from PubChem (CID 172917238), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).