methyl 2-[[(2E)-2-hydroxyiminoacetyl]amino]benzoate

C10H10N2O4 — CID 6904179

IUPACmethyl 2-[[(2E)-2-hydroxyiminoacetyl]amino]benzoate
SMILESCOC(=O)c1ccccc1NC(=O)/C=N/O
InChIInChI=1S/C10H10N2O4/c1-16-10(14)7-4-2-3-5-8(7)12-9(13)6-11-15/h2-6,15H,1H3,(H,12,13)/b11-6+
InChIKeyQAVYRCRPJGELDP-IZZDOVSWSA-N
MW222.20 g/mol
LogP0.87
Rot. Bonds3

About methyl 2-[[(2E)-2-hydroxyiminoacetyl]amino]benzoate

methyl 2-[[(2E)-2-hydroxyiminoacetyl]amino]benzoate (PubChem CID 6904179) has the molecular formula C10H10N2O4 and a molecular weight of 222.20 g/mol. Its IUPAC name is methyl 2-[[(2E)-2-hydroxyiminoacetyl]amino]benzoate.

Molecular Properties

Compound Namemethyl 2-[[(2E)-2-hydroxyiminoacetyl]amino]benzoate
PubChem CID6904179
Molecular FormulaC10H10N2O4
Molecular Weight222.20 g/mol
Exact Mass222.06
IUPAC Namemethyl 2-[[(2E)-2-hydroxyiminoacetyl]amino]benzoate
SMILESCOC(=O)c1ccccc1NC(=O)/C=N/O
InChIInChI=1S/C10H10N2O4/c1-16-10(14)7-4-2-3-5-8(7)12-9(13)6-11-15/h2-6,15H,1H3,(H,12,13)/b11-6+
InChIKeyQAVYRCRPJGELDP-IZZDOVSWSA-N
XLogP0.87
TPSA87.99 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500222.20
LogP ≤ 50.87
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'oxime_1', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

2-hydroxyimino-N-(2-methylphenyl)acetamide
CID 6399302
methyl 2-[[2-(triphenyl-λ5-phosphanylidene)acetyl]amino]benzoate
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methyl 2-(2,2-dimethylpropanoylamino)benzoate
CID 546733
methyl 2-(4,4,4-trifluorobut-2-enoylamino)benzoate
CID 142040543
methyl 2-(2-oxopropanoylamino)benzoate
CID 82127719
methyl 2-[[(E)-3-(2-methoxyphenyl)prop-2-enoyl]amino]benzoate
CID 892842
2-hydroxyimino-N-naphthalen-1-ylacetamide
CID 53426995
methyl 2-(2-methylprop-2-enoylamino)benzoate
CID 23293368
di(113C)methyl benzene-1,2-dicarboxylate
CID 131668060
methyl 2-(methylamino)benzoate;hydrochloride
CID 141440626
methyl 2-hydrazinylbenzoate;hydrochloride
CID 71758151
methyl 2-[(2-bromobenzoyl)amino]benzoate
CID 723592

Frequently Asked Questions

What is the IUPAC name of methyl 2-[[(2E)-2-hydroxyiminoacetyl]amino]benzoate?
The IUPAC name of methyl 2-[[(2E)-2-hydroxyiminoacetyl]amino]benzoate (CID 6904179) is methyl 2-[[(2E)-2-hydroxyiminoacetyl]amino]benzoate.
What is the SMILES notation for methyl 2-[[(2E)-2-hydroxyiminoacetyl]amino]benzoate?
The canonical SMILES for methyl 2-[[(2E)-2-hydroxyiminoacetyl]amino]benzoate is COC(=O)c1ccccc1NC(=O)/C=N/O.
What is the InChIKey of methyl 2-[[(2E)-2-hydroxyiminoacetyl]amino]benzoate?
The InChIKey is QAVYRCRPJGELDP-IZZDOVSWSA-N. The full InChI is InChI=1S/C10H10N2O4/c1-16-10(14)7-4-2-3-5-8(7)12-9(13)6-11-15/h2-6,15H,1H3,(H,12,13)/b11-6+.
What are the key properties of methyl 2-[[(2E)-2-hydroxyiminoacetyl]amino]benzoate?
methyl 2-[[(2E)-2-hydroxyiminoacetyl]amino]benzoate has a molecular weight of 222.20 g/mol, XLogP of 0.87, 3 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 2-[[(2E)-2-hydroxyiminoacetyl]amino]benzoate is sourced from PubChem (CID 6904179), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).