5-[(methoxyamino)methyl]thiophene-2-carboxylic acid

C7H9NO3S — CID 103254308

IUPAC5-[(methoxyamino)methyl]thiophene-2-carboxylic acid
SMILESCONCc1ccc(C(=O)O)s1
InChIInChI=1S/C7H9NO3S/c1-11-8-4-5-2-3-6(12-5)7(9)10/h2-3,8H,4H2,1H3,(H,9,10)
InChIKeyYUODESGRHYTLGW-UHFFFAOYSA-N
MW187.22 g/mol
LogP1.10
Rot. Bonds4

About 5-[(methoxyamino)methyl]thiophene-2-carboxylic acid

5-[(methoxyamino)methyl]thiophene-2-carboxylic acid (PubChem CID 103254308) has the molecular formula C7H9NO3S and a molecular weight of 187.22 g/mol. Its IUPAC name is 5-[(methoxyamino)methyl]thiophene-2-carboxylic acid.

Molecular Properties

Compound Name5-[(methoxyamino)methyl]thiophene-2-carboxylic acid
PubChem CID103254308
Molecular FormulaC7H9NO3S
Molecular Weight187.22 g/mol
Exact Mass187.03
IUPAC Name5-[(methoxyamino)methyl]thiophene-2-carboxylic acid
SMILESCONCc1ccc(C(=O)O)s1
InChIInChI=1S/C7H9NO3S/c1-11-8-4-5-2-3-6(12-5)7(9)10/h2-3,8H,4H2,1H3,(H,9,10)
InChIKeyYUODESGRHYTLGW-UHFFFAOYSA-N
XLogP1.10
TPSA58.56 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500187.22
LogP ≤ 51.10
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

5-[[(3-methoxy-3-oxopropyl)amino]methyl]thiophene-2-carboxylic acid
CID 103240357
5-[[(1-methylcyclopropyl)amino]methyl]thiophene-2-carboxylic acid
CID 103263988
5-[(methylcarbamoylamino)methyl]thiophene-2-carboxylic acid
CID 84680344
5-[[2-[2-methoxyethyl(methyl)amino]ethylamino]methyl]thiophene-2-carboxylic acid
CID 103249681
5-[[[2-(2-ethoxyethoxy)acetyl]amino]methyl]thiophene-2-carboxylic acid
CID 122110493
5-[[(1,3-dihydroxy-2-methylpropan-2-yl)amino]methyl]thiophene-2-carboxylic acid
CID 103261480
5-[[[(1R)-1-(4-methoxyphenyl)ethyl]amino]methyl]thiophene-2-carboxylic acid
CID 103258542
5-(propoxymethyl)thiophene-2-carboxylic acid
CID 63380315
5-[[[2-(dimethylamino)-2-oxoethyl]amino]methyl]thiophene-2-carboxylic acid
CID 103237529
5-(2-oxopropyl)thiophene-2-carboxylic acid
CID 58339018
5-(hydroperoxymethyl)thiophene-2-carboxylic acid
CID 23563914
5-[[(2-methoxycyclopentyl)amino]methyl]thiophene-2-carboxylic acid
CID 103248527

Frequently Asked Questions

What is the IUPAC name of 5-[(methoxyamino)methyl]thiophene-2-carboxylic acid?
The IUPAC name of 5-[(methoxyamino)methyl]thiophene-2-carboxylic acid (CID 103254308) is 5-[(methoxyamino)methyl]thiophene-2-carboxylic acid.
What is the SMILES notation for 5-[(methoxyamino)methyl]thiophene-2-carboxylic acid?
The canonical SMILES for 5-[(methoxyamino)methyl]thiophene-2-carboxylic acid is CONCc1ccc(C(=O)O)s1.
What is the InChIKey of 5-[(methoxyamino)methyl]thiophene-2-carboxylic acid?
The InChIKey is YUODESGRHYTLGW-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H9NO3S/c1-11-8-4-5-2-3-6(12-5)7(9)10/h2-3,8H,4H2,1H3,(H,9,10).
What are the key properties of 5-[(methoxyamino)methyl]thiophene-2-carboxylic acid?
5-[(methoxyamino)methyl]thiophene-2-carboxylic acid has a molecular weight of 187.22 g/mol, XLogP of 1.10, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[(methoxyamino)methyl]thiophene-2-carboxylic acid is sourced from PubChem (CID 103254308), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).