methyl 3-amino-5-(methoxymethyl)thiophene-2-carboxylate

C8H11NO3S — CID 45089587

IUPACmethyl 3-amino-5-(methoxymethyl)thiophene-2-carboxylate
SMILESCOCc1cc(N)c(C(=O)OC)s1
InChIInChI=1S/C8H11NO3S/c1-11-4-5-3-6(9)7(13-5)8(10)12-2/h3H,4,9H2,1-2H3
InChIKeyFLKHSABVJQORDZ-UHFFFAOYSA-N
MW201.25 g/mol
LogP1.26
Rot. Bonds3

About methyl 3-amino-5-(methoxymethyl)thiophene-2-carboxylate

methyl 3-amino-5-(methoxymethyl)thiophene-2-carboxylate (PubChem CID 45089587) has the molecular formula C8H11NO3S and a molecular weight of 201.25 g/mol. Its IUPAC name is methyl 3-amino-5-(methoxymethyl)thiophene-2-carboxylate.

Molecular Properties

Compound Namemethyl 3-amino-5-(methoxymethyl)thiophene-2-carboxylate
PubChem CID45089587
Molecular FormulaC8H11NO3S
Molecular Weight201.25 g/mol
Exact Mass201.05
IUPAC Namemethyl 3-amino-5-(methoxymethyl)thiophene-2-carboxylate
SMILESCOCc1cc(N)c(C(=O)OC)s1
InChIInChI=1S/C8H11NO3S/c1-11-4-5-3-6(9)7(13-5)8(10)12-2/h3H,4,9H2,1-2H3
InChIKeyFLKHSABVJQORDZ-UHFFFAOYSA-N
XLogP1.26
TPSA61.55 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500201.25
LogP ≤ 51.26
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

methyl 3-amino-5-(2-cyclopropylethyl)thiophene-2-carboxylate
CID 68945263
methyl 3-amino-5-(ethylamino)thiophene-2-carboxylate
CID 103424518
1-[3-amino-5-(2-methoxyethyl)thiophen-2-yl]ethanone
CID 82376348
methyl 3-amino-5-ethynylthiophene-2-carboxylate
CID 59857028
methyl 3-amino-5-cyclododecylthiophene-2-carboxylate
CID 123337713
methyl 3-amino-5-(5-methylfuran-2-yl)thiophene-2-carboxylate
CID 43155482
methyl 3-amino-5-(hexylamino)thiophene-2-carboxylate
CID 103420123
methyl 3-amino-5-(4-iodophenyl)thiophene-2-carboxylate
CID 43155534
methyl 3-amino-5-(4-methoxypiperidin-1-yl)thiophene-2-carboxylate
CID 103508852
methyl 3-amino-5-[(4-methylphenyl)methylamino]thiophene-2-carboxylate
CID 103426331
methyl 2-(3-aminophenyl)-4-(methoxymethyl)-1,3-thiazole-5-carboxylate
CID 114358841
methyl 3-amino-5-[benzyl(methyl)amino]thiophene-2-carboxylate
CID 103420317

Frequently Asked Questions

What is the IUPAC name of methyl 3-amino-5-(methoxymethyl)thiophene-2-carboxylate?
The IUPAC name of methyl 3-amino-5-(methoxymethyl)thiophene-2-carboxylate (CID 45089587) is methyl 3-amino-5-(methoxymethyl)thiophene-2-carboxylate.
What is the SMILES notation for methyl 3-amino-5-(methoxymethyl)thiophene-2-carboxylate?
The canonical SMILES for methyl 3-amino-5-(methoxymethyl)thiophene-2-carboxylate is COCc1cc(N)c(C(=O)OC)s1.
What is the InChIKey of methyl 3-amino-5-(methoxymethyl)thiophene-2-carboxylate?
The InChIKey is FLKHSABVJQORDZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H11NO3S/c1-11-4-5-3-6(9)7(13-5)8(10)12-2/h3H,4,9H2,1-2H3.
What are the key properties of methyl 3-amino-5-(methoxymethyl)thiophene-2-carboxylate?
methyl 3-amino-5-(methoxymethyl)thiophene-2-carboxylate has a molecular weight of 201.25 g/mol, XLogP of 1.26, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 3-amino-5-(methoxymethyl)thiophene-2-carboxylate is sourced from PubChem (CID 45089587), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).