methyl 2-hydroxy-3-[(3-methoxythiophene-2-carbonyl)amino]propanoate

C10H13NO5S — CID 113344178

IUPACmethyl 2-hydroxy-3-[(3-methoxythiophene-2-carbonyl)amino]propanoate
SMILESCOC(=O)C(O)CNC(=O)c1sccc1OC
InChIInChI=1S/C10H13NO5S/c1-15-7-3-4-17-8(7)9(13)11-5-6(12)10(14)16-2/h3-4,6,12H,5H2,1-2H3,(H,11,13)
InChIKeyOSZPFCHZDLAXTB-UHFFFAOYSA-N
MW259.28 g/mol
LogP0.02
Rot. Bonds5

About methyl 2-hydroxy-3-[(3-methoxythiophene-2-carbonyl)amino]propanoate

methyl 2-hydroxy-3-[(3-methoxythiophene-2-carbonyl)amino]propanoate (PubChem CID 113344178) has the molecular formula C10H13NO5S and a molecular weight of 259.28 g/mol. Its IUPAC name is methyl 2-hydroxy-3-[(3-methoxythiophene-2-carbonyl)amino]propanoate.

Molecular Properties

Compound Namemethyl 2-hydroxy-3-[(3-methoxythiophene-2-carbonyl)amino]propanoate
PubChem CID113344178
Molecular FormulaC10H13NO5S
Molecular Weight259.28 g/mol
Exact Mass259.05
IUPAC Namemethyl 2-hydroxy-3-[(3-methoxythiophene-2-carbonyl)amino]propanoate
SMILESCOC(=O)C(O)CNC(=O)c1sccc1OC
InChIInChI=1S/C10H13NO5S/c1-15-7-3-4-17-8(7)9(13)11-5-6(12)10(14)16-2/h3-4,6,12H,5H2,1-2H3,(H,11,13)
InChIKeyOSZPFCHZDLAXTB-UHFFFAOYSA-N
XLogP0.02
TPSA84.86 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500259.28
LogP ≤ 50.02
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Related Compounds

2-hydroxy-3-[(3-methoxythiophene-2-carbonyl)amino]propanoic acid
CID 81127121
methyl 3-[(3-aminothiophene-2-carbonyl)amino]-2-hydroxypropanoate
CID 107211618
methyl 2-hydroxy-3-[(3-pyrrol-1-ylthiophene-2-carbonyl)amino]propanoate
CID 103957822
N-(2-chloro-3-ethylpentyl)-3-methoxythiophene-2-carboxamide
CID 114168687
N-[(4-aminophenyl)methyl]-3-methoxythiophene-2-carboxamide
CID 81116990
N-[(2S)-1-aminopropan-2-yl]-3-methoxythiophene-2-carboxamide
CID 120508214
N-carbamoyl-3-methoxythiophene-2-carboxamide
CID 81128193
N-(3-chloro-2,2-dimethylpropyl)-3-methoxythiophene-2-carboxamide
CID 115364635
N-(2-hydroxy-2,5-dimethylhexyl)-3-methoxythiophene-2-carboxamide
CID 111485302
methyl 3-[(4-amino-3-methoxybenzoyl)amino]-2-hydroxypropanoate
CID 107211629
methyl 3-[(2-fluoro-6-methoxybenzoyl)amino]-2-hydroxypropanoate
CID 103957956
N-[2-(4-hydroxyphenyl)ethyl]-3-methoxythiophene-2-carboxamide
CID 78946123

Frequently Asked Questions

What is the IUPAC name of methyl 2-hydroxy-3-[(3-methoxythiophene-2-carbonyl)amino]propanoate?
The IUPAC name of methyl 2-hydroxy-3-[(3-methoxythiophene-2-carbonyl)amino]propanoate (CID 113344178) is methyl 2-hydroxy-3-[(3-methoxythiophene-2-carbonyl)amino]propanoate.
What is the SMILES notation for methyl 2-hydroxy-3-[(3-methoxythiophene-2-carbonyl)amino]propanoate?
The canonical SMILES for methyl 2-hydroxy-3-[(3-methoxythiophene-2-carbonyl)amino]propanoate is COC(=O)C(O)CNC(=O)c1sccc1OC.
What is the InChIKey of methyl 2-hydroxy-3-[(3-methoxythiophene-2-carbonyl)amino]propanoate?
The InChIKey is OSZPFCHZDLAXTB-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H13NO5S/c1-15-7-3-4-17-8(7)9(13)11-5-6(12)10(14)16-2/h3-4,6,12H,5H2,1-2H3,(H,11,13).
What are the key properties of methyl 2-hydroxy-3-[(3-methoxythiophene-2-carbonyl)amino]propanoate?
methyl 2-hydroxy-3-[(3-methoxythiophene-2-carbonyl)amino]propanoate has a molecular weight of 259.28 g/mol, XLogP of 0.02, 5 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 2-hydroxy-3-[(3-methoxythiophene-2-carbonyl)amino]propanoate is sourced from PubChem (CID 113344178), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).