methyl 3-(hydroxyamino)thiophene-2-carboxylate

C6H7NO3S — CID 90258603

IUPACmethyl 3-(hydroxyamino)thiophene-2-carboxylate
SMILESCOC(=O)c1sccc1NO
InChIInChI=1S/C6H7NO3S/c1-10-6(8)5-4(7-9)2-3-11-5/h2-3,7,9H,1H3
InChIKeyAQOVJVILZVKHOO-UHFFFAOYSA-N
MW173.19 g/mol
LogP1.34
Rot. Bonds2

About methyl 3-(hydroxyamino)thiophene-2-carboxylate

methyl 3-(hydroxyamino)thiophene-2-carboxylate (PubChem CID 90258603) has the molecular formula C6H7NO3S and a molecular weight of 173.19 g/mol. Its IUPAC name is methyl 3-(hydroxyamino)thiophene-2-carboxylate.

Molecular Properties

Compound Namemethyl 3-(hydroxyamino)thiophene-2-carboxylate
PubChem CID90258603
Molecular FormulaC6H7NO3S
Molecular Weight173.19 g/mol
Exact Mass173.01
IUPAC Namemethyl 3-(hydroxyamino)thiophene-2-carboxylate
SMILESCOC(=O)c1sccc1NO
InChIInChI=1S/C6H7NO3S/c1-10-6(8)5-4(7-9)2-3-11-5/h2-3,7,9H,1H3
InChIKeyAQOVJVILZVKHOO-UHFFFAOYSA-N
XLogP1.34
TPSA58.56 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500173.19
LogP ≤ 51.34
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

methyl 3-[2-(2-methoxycarbonylthiophen-3-yl)hydrazinyl]thiophene-2-carboxylate
CID 125484069
methyl 3-(methylamino)thiophene-2-carboxylate
CID 19005896
3-(hydroxyamino)thiophene-2-carboxylic acid
CID 87561622
methyl 3-(2-methylpropanoylamino)thiophene-2-carboxylate
CID 4108556
methyl 3-(2,2,2-trifluoroethylamino)thiophene-2-carboxylate
CID 69175818
methyl 3-[(4-hydroxybenzoyl)amino]thiophene-2-carboxylate
CID 43112154
methyl 3-(3-bromopropanoylamino)thiophene-2-carboxylate
CID 69190095
methyl 3-[(2-cyanoacetyl)amino]thiophene-2-carboxylate
CID 5178717
methyl 3-[(4-methoxyphenyl)methylamino]thiophene-2-carboxylate
CID 59702062
methyl 3-[(2-bromo-3-methylbutanoyl)amino]thiophene-2-carboxylate
CID 43130541
methyl 3-[[(1R,2R)-2-methylcyclopropanecarbonyl]amino]thiophene-2-carboxylate
CID 93038584
methyl 3-[[(E)-3-(4-hydroxyphenyl)prop-2-enoyl]amino]thiophene-2-carboxylate
CID 43408056

Frequently Asked Questions

What is the IUPAC name of methyl 3-(hydroxyamino)thiophene-2-carboxylate?
The IUPAC name of methyl 3-(hydroxyamino)thiophene-2-carboxylate (CID 90258603) is methyl 3-(hydroxyamino)thiophene-2-carboxylate.
What is the SMILES notation for methyl 3-(hydroxyamino)thiophene-2-carboxylate?
The canonical SMILES for methyl 3-(hydroxyamino)thiophene-2-carboxylate is COC(=O)c1sccc1NO.
What is the InChIKey of methyl 3-(hydroxyamino)thiophene-2-carboxylate?
The InChIKey is AQOVJVILZVKHOO-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H7NO3S/c1-10-6(8)5-4(7-9)2-3-11-5/h2-3,7,9H,1H3.
What are the key properties of methyl 3-(hydroxyamino)thiophene-2-carboxylate?
methyl 3-(hydroxyamino)thiophene-2-carboxylate has a molecular weight of 173.19 g/mol, XLogP of 1.34, 2 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 3-(hydroxyamino)thiophene-2-carboxylate is sourced from PubChem (CID 90258603), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).