hydroxycarbamoyl 2-(2-methoxyanilino)acetate

C10H12N2O5 — CID 175061449

IUPAChydroxycarbamoyl 2-(2-methoxyanilino)acetate
SMILESCOc1ccccc1NCC(=O)OC(=O)NO
InChIInChI=1S/C10H12N2O5/c1-16-8-5-3-2-4-7(8)11-6-9(13)17-10(14)12-15/h2-5,11,15H,6H2,1H3,(H,12,14)
InChIKeyPRQXXTZARUBXOH-UHFFFAOYSA-N
MW240.22 g/mol
LogP0.75
Rot. Bonds4

About hydroxycarbamoyl 2-(2-methoxyanilino)acetate

hydroxycarbamoyl 2-(2-methoxyanilino)acetate (PubChem CID 175061449) has the molecular formula C10H12N2O5 and a molecular weight of 240.22 g/mol. Its IUPAC name is hydroxycarbamoyl 2-(2-methoxyanilino)acetate.

Molecular Properties

Compound Namehydroxycarbamoyl 2-(2-methoxyanilino)acetate
PubChem CID175061449
Molecular FormulaC10H12N2O5
Molecular Weight240.22 g/mol
Exact Mass240.07
IUPAC Namehydroxycarbamoyl 2-(2-methoxyanilino)acetate
SMILESCOc1ccccc1NCC(=O)OC(=O)NO
InChIInChI=1S/C10H12N2O5/c1-16-8-5-3-2-4-7(8)11-6-9(13)17-10(14)12-15/h2-5,11,15H,6H2,1H3,(H,12,14)
InChIKeyPRQXXTZARUBXOH-UHFFFAOYSA-N
XLogP0.75
TPSA96.89 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500240.22
LogP ≤ 50.75
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'beta-keto/anhydride', 'substructure': 'N/A'}, {'alert_name': 'hydroxamic_acid', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

hydroxycarbamoyl 2-(2-chloroanilino)acetate
CID 175058380
2-(2-methoxyanilino)-N-phenylacetamide
CID 7636827
2-methoxy-N-(2-phenylprop-2-enyl)aniline
CID 113288070
N-(2-aminoethyl)-2-(2-methoxyanilino)acetamide
CID 119382687
2-(5-bromo-2-methoxyanilino)-N-(2-methoxyphenyl)acetamide
CID 87030481
methyl 2-[2-(trifluoromethoxy)anilino]acetate
CID 28577783
tert-butyl 3-(2-methoxyanilino)propanoate
CID 103231727
1-(4-acetylpiperazin-1-yl)-2-(2-methoxyanilino)ethanone
CID 108996173
2-(2-methoxyanilino)-N-(1-methoxypropan-2-yl)acetamide
CID 55437645
N-[(2S)-1-aminopropan-2-yl]-2-(2-methoxyanilino)acetamide
CID 120505863
N-(2-aminoethyl)-2-(2-methoxyanilino)acetamide;dihydrochloride
CID 119382686
2-[[2-(2-methoxyanilino)acetyl]amino]benzoic acid
CID 18929239

Frequently Asked Questions

What is the IUPAC name of hydroxycarbamoyl 2-(2-methoxyanilino)acetate?
The IUPAC name of hydroxycarbamoyl 2-(2-methoxyanilino)acetate (CID 175061449) is hydroxycarbamoyl 2-(2-methoxyanilino)acetate.
What is the SMILES notation for hydroxycarbamoyl 2-(2-methoxyanilino)acetate?
The canonical SMILES for hydroxycarbamoyl 2-(2-methoxyanilino)acetate is COc1ccccc1NCC(=O)OC(=O)NO.
What is the InChIKey of hydroxycarbamoyl 2-(2-methoxyanilino)acetate?
The InChIKey is PRQXXTZARUBXOH-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H12N2O5/c1-16-8-5-3-2-4-7(8)11-6-9(13)17-10(14)12-15/h2-5,11,15H,6H2,1H3,(H,12,14).
What are the key properties of hydroxycarbamoyl 2-(2-methoxyanilino)acetate?
hydroxycarbamoyl 2-(2-methoxyanilino)acetate has a molecular weight of 240.22 g/mol, XLogP of 0.75, 4 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for hydroxycarbamoyl 2-(2-methoxyanilino)acetate is sourced from PubChem (CID 175061449), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).