4-[(3-carbamoylmorpholin-4-yl)methyl]-5-methylthiophene-2-carboxylic acid

C12H16N2O4S — CID 83095890

IUPAC4-[(3-carbamoylmorpholin-4-yl)methyl]-5-methylthiophene-2-carboxylic acid
SMILESCc1sc(C(=O)O)cc1CN1CCOCC1C(N)=O
InChIInChI=1S/C12H16N2O4S/c1-7-8(4-10(19-7)12(16)17)5-14-2-3-18-6-9(14)11(13)15/h4,9H,2-3,5-6H2,1H3,(H2,13,15)(H,16,17)
InChIKeyKWROIYSRIGKPCG-UHFFFAOYSA-N
MW284.34 g/mol
LogP0.44
Rot. Bonds4

About 4-[(3-carbamoylmorpholin-4-yl)methyl]-5-methylthiophene-2-carboxylic acid

4-[(3-carbamoylmorpholin-4-yl)methyl]-5-methylthiophene-2-carboxylic acid (PubChem CID 83095890) has the molecular formula C12H16N2O4S and a molecular weight of 284.34 g/mol. Its IUPAC name is 4-[(3-carbamoylmorpholin-4-yl)methyl]-5-methylthiophene-2-carboxylic acid.

Molecular Properties

Compound Name4-[(3-carbamoylmorpholin-4-yl)methyl]-5-methylthiophene-2-carboxylic acid
PubChem CID83095890
Molecular FormulaC12H16N2O4S
Molecular Weight284.34 g/mol
Exact Mass284.08
IUPAC Name4-[(3-carbamoylmorpholin-4-yl)methyl]-5-methylthiophene-2-carboxylic acid
SMILESCc1sc(C(=O)O)cc1CN1CCOCC1C(N)=O
InChIInChI=1S/C12H16N2O4S/c1-7-8(4-10(19-7)12(16)17)5-14-2-3-18-6-9(14)11(13)15/h4,9H,2-3,5-6H2,1H3,(H2,13,15)(H,16,17)
InChIKeyKWROIYSRIGKPCG-UHFFFAOYSA-N
XLogP0.44
TPSA92.86 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500284.34
LogP ≤ 50.44
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

5-methyl-4-[[3-(methylcarbamoyl)morpholin-4-yl]methyl]thiophene-2-carboxylic acid
CID 83102863
4-[(5-carbamoyl-2-methylpiperidin-1-yl)methyl]-5-methylthiophene-2-carboxylic acid
CID 80728222
4-[(5-amino-2-chlorophenyl)methyl]morpholine-3-carboxamide
CID 83102235
4-[(2-amino-4-carbamoylphenyl)methyl]morpholine-3-carboxamide
CID 83101795
4-[(2-amino-1,3-thiazol-5-yl)methyl]morpholine-3-carboxamide
CID 83095925
4-[[4-(aminomethyl)phenyl]methyl]morpholine-3-carboxamide
CID 83101444
5-[(3-carbamoylmorpholin-4-yl)methyl]furan-2-carboxylic acid
CID 83095889
4-(3,4,4a,5,6,7,8,8a-octahydro-2H-quinolin-1-ylmethyl)-5-methylthiophene-2-carboxylic acid
CID 80730721
4-[(2,3-dimethylpiperidin-1-yl)methyl]-5-methylthiophene-2-carboxylic acid
CID 80727249
4-[[2-(2-hydroxypropyl)pyrrolidin-1-yl]methyl]-5-methylthiophene-2-carboxylic acid
CID 112748721
4-[(2-cyanophenyl)methyl]morpholine-3-carboxamide
CID 83092917
4-[[5-(methylamino)-1,3,4-thiadiazol-2-yl]methyl]morpholine-3-carboxamide
CID 83096013

Frequently Asked Questions

What is the IUPAC name of 4-[(3-carbamoylmorpholin-4-yl)methyl]-5-methylthiophene-2-carboxylic acid?
The IUPAC name of 4-[(3-carbamoylmorpholin-4-yl)methyl]-5-methylthiophene-2-carboxylic acid (CID 83095890) is 4-[(3-carbamoylmorpholin-4-yl)methyl]-5-methylthiophene-2-carboxylic acid.
What is the SMILES notation for 4-[(3-carbamoylmorpholin-4-yl)methyl]-5-methylthiophene-2-carboxylic acid?
The canonical SMILES for 4-[(3-carbamoylmorpholin-4-yl)methyl]-5-methylthiophene-2-carboxylic acid is Cc1sc(C(=O)O)cc1CN1CCOCC1C(N)=O.
What is the InChIKey of 4-[(3-carbamoylmorpholin-4-yl)methyl]-5-methylthiophene-2-carboxylic acid?
The InChIKey is KWROIYSRIGKPCG-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H16N2O4S/c1-7-8(4-10(19-7)12(16)17)5-14-2-3-18-6-9(14)11(13)15/h4,9H,2-3,5-6H2,1H3,(H2,13,15)(H,16,17).
What are the key properties of 4-[(3-carbamoylmorpholin-4-yl)methyl]-5-methylthiophene-2-carboxylic acid?
4-[(3-carbamoylmorpholin-4-yl)methyl]-5-methylthiophene-2-carboxylic acid has a molecular weight of 284.34 g/mol, XLogP of 0.44, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(3-carbamoylmorpholin-4-yl)methyl]-5-methylthiophene-2-carboxylic acid is sourced from PubChem (CID 83095890), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).