methyl 3-[[2-(3-hydroxyazetidin-1-yl)acetyl]amino]thiophene-2-carboxylate

C11H14N2O4S — CID 55173040

IUPACmethyl 3-[[2-(3-hydroxyazetidin-1-yl)acetyl]amino]thiophene-2-carboxylate
SMILESCOC(=O)c1sccc1NC(=O)CN1CC(O)C1
InChIInChI=1S/C11H14N2O4S/c1-17-11(16)10-8(2-3-18-10)12-9(15)6-13-4-7(14)5-13/h2-3,7,14H,4-6H2,1H3,(H,12,15)
InChIKeyBJQAWYYSLIKLBB-UHFFFAOYSA-N
MW270.31 g/mol
LogP0.15
Rot. Bonds4

About methyl 3-[[2-(3-hydroxyazetidin-1-yl)acetyl]amino]thiophene-2-carboxylate

methyl 3-[[2-(3-hydroxyazetidin-1-yl)acetyl]amino]thiophene-2-carboxylate (PubChem CID 55173040) has the molecular formula C11H14N2O4S and a molecular weight of 270.31 g/mol. Its IUPAC name is methyl 3-[[2-(3-hydroxyazetidin-1-yl)acetyl]amino]thiophene-2-carboxylate.

Molecular Properties

Compound Namemethyl 3-[[2-(3-hydroxyazetidin-1-yl)acetyl]amino]thiophene-2-carboxylate
PubChem CID55173040
Molecular FormulaC11H14N2O4S
Molecular Weight270.31 g/mol
Exact Mass270.07
IUPAC Namemethyl 3-[[2-(3-hydroxyazetidin-1-yl)acetyl]amino]thiophene-2-carboxylate
SMILESCOC(=O)c1sccc1NC(=O)CN1CC(O)C1
InChIInChI=1S/C11H14N2O4S/c1-17-11(16)10-8(2-3-18-10)12-9(15)6-13-4-7(14)5-13/h2-3,7,14H,4-6H2,1H3,(H,12,15)
InChIKeyBJQAWYYSLIKLBB-UHFFFAOYSA-N
XLogP0.15
TPSA78.87 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500270.31
LogP ≤ 50.15
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Related Compounds

methyl 3-[[2-(4-aminopiperidin-1-yl)acetyl]amino]thiophene-2-carboxylate
CID 43556558
methyl 3-[[2-[3-(methylamino)pyrrolidin-1-yl]acetyl]amino]thiophene-2-carboxylate
CID 115300730
methyl 3-[[2-[(3R)-3-methylpiperazin-1-yl]acetyl]amino]thiophene-2-carboxylate
CID 104975578
methyl 3-[[2-[4-(4-hydroxyphenyl)piperazin-1-yl]acetyl]amino]thiophene-2-carboxylate
CID 36845967
ethyl 1-[2-[(2-methoxycarbonylthiophen-3-yl)amino]-2-oxoethyl]piperidine-3-carboxylate
CID 24565121
ethyl (3S)-1-[2-[(2-methoxycarbonylthiophen-3-yl)amino]-2-oxoethyl]piperidine-3-carboxylate
CID 92807736
methyl 3-[[2-(cyclopropylamino)acetyl]amino]thiophene-2-carboxylate
CID 60703682
methyl 3-[[2-(4-methyl-2-oxo-1,3-thiazol-3-yl)acetyl]amino]thiophene-2-carboxylate
CID 26705042
(2R)-2-[(4-hydroxypiperidin-1-yl)methyl]-4-[(2-methoxycarbonylthiophen-3-yl)amino]-4-oxobutanoic acid
CID 95388945
methyl 3-(3-bromopropanoylamino)thiophene-2-carboxylate
CID 69190095
methyl 3-[[2-[4-[(2-methylbenzoyl)amino]piperidin-1-yl]acetyl]amino]thiophene-2-carboxylate
CID 55849627
methyl 3-[[2-(propylamino)acetyl]amino]thiophene-2-carboxylate
CID 60703502

Frequently Asked Questions

What is the IUPAC name of methyl 3-[[2-(3-hydroxyazetidin-1-yl)acetyl]amino]thiophene-2-carboxylate?
The IUPAC name of methyl 3-[[2-(3-hydroxyazetidin-1-yl)acetyl]amino]thiophene-2-carboxylate (CID 55173040) is methyl 3-[[2-(3-hydroxyazetidin-1-yl)acetyl]amino]thiophene-2-carboxylate.
What is the SMILES notation for methyl 3-[[2-(3-hydroxyazetidin-1-yl)acetyl]amino]thiophene-2-carboxylate?
The canonical SMILES for methyl 3-[[2-(3-hydroxyazetidin-1-yl)acetyl]amino]thiophene-2-carboxylate is COC(=O)c1sccc1NC(=O)CN1CC(O)C1.
What is the InChIKey of methyl 3-[[2-(3-hydroxyazetidin-1-yl)acetyl]amino]thiophene-2-carboxylate?
The InChIKey is BJQAWYYSLIKLBB-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H14N2O4S/c1-17-11(16)10-8(2-3-18-10)12-9(15)6-13-4-7(14)5-13/h2-3,7,14H,4-6H2,1H3,(H,12,15).
What are the key properties of methyl 3-[[2-(3-hydroxyazetidin-1-yl)acetyl]amino]thiophene-2-carboxylate?
methyl 3-[[2-(3-hydroxyazetidin-1-yl)acetyl]amino]thiophene-2-carboxylate has a molecular weight of 270.31 g/mol, XLogP of 0.15, 4 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 3-[[2-(3-hydroxyazetidin-1-yl)acetyl]amino]thiophene-2-carboxylate is sourced from PubChem (CID 55173040), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).