4-(2-methyl-2-thiophen-2-ylpropanoyl)morpholine-2-carboxylic acid

C13H17NO4S — CID 119239024

IUPAC4-(2-methyl-2-thiophen-2-ylpropanoyl)morpholine-2-carboxylic acid
SMILESCC(C)(C(=O)N1CCOC(C(=O)O)C1)c1cccs1
InChIInChI=1S/C13H17NO4S/c1-13(2,10-4-3-7-19-10)12(17)14-5-6-18-9(8-14)11(15)16/h3-4,7,9H,5-6,8H2,1-2H3,(H,15,16)
InChIKeyAJXWIFKBYPSZAK-UHFFFAOYSA-N
MW283.35 g/mol
LogP1.34
Rot. Bonds3

About 4-(2-methyl-2-thiophen-2-ylpropanoyl)morpholine-2-carboxylic acid

4-(2-methyl-2-thiophen-2-ylpropanoyl)morpholine-2-carboxylic acid (PubChem CID 119239024) has the molecular formula C13H17NO4S and a molecular weight of 283.35 g/mol. Its IUPAC name is 4-(2-methyl-2-thiophen-2-ylpropanoyl)morpholine-2-carboxylic acid.

Molecular Properties

Compound Name4-(2-methyl-2-thiophen-2-ylpropanoyl)morpholine-2-carboxylic acid
PubChem CID119239024
Molecular FormulaC13H17NO4S
Molecular Weight283.35 g/mol
Exact Mass283.09
IUPAC Name4-(2-methyl-2-thiophen-2-ylpropanoyl)morpholine-2-carboxylic acid
SMILESCC(C)(C(=O)N1CCOC(C(=O)O)C1)c1cccs1
InChIInChI=1S/C13H17NO4S/c1-13(2,10-4-3-7-19-10)12(17)14-5-6-18-9(8-14)11(15)16/h3-4,7,9H,5-6,8H2,1-2H3,(H,15,16)
InChIKeyAJXWIFKBYPSZAK-UHFFFAOYSA-N
XLogP1.34
TPSA66.84 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500283.35
LogP ≤ 51.34
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

(3S)-1-(2-methyl-2-thiophen-2-ylpropanoyl)pyrrolidine-3-carboxylic acid
CID 124682168
4-[2-(4-ethylphenyl)-2-methylpropanoyl]morpholine-2-carboxylic acid
CID 119358140
4-(2,2-dimethylpropanoyl)morpholine-2-carboxylic acid
CID 54595495
2-methyl-1-[3-(methylamino)piperidin-1-yl]-2-thiophen-2-ylpropan-1-one
CID 119492236
(2R)-4-[2-(thiophene-2-carbonyl)benzoyl]morpholine-2-carboxylic acid
CID 125152797
4-[2-methyl-2-(methylamino)propanoyl]morpholine-2-carboxylic acid
CID 62846931
ethyl 1-(2-methyl-2-thiophen-2-ylpropanoyl)piperidine-3-carboxylate
CID 110698415
4-acetylmorpholine-2-carboxylic acid
CID 20598078
4-(2,6-dimethylbenzoyl)morpholine-2-carboxylic acid
CID 103925683
4-[2-(thiophen-2-ylsulfonylamino)propanoyl]morpholine-2-carboxylic acid
CID 119240076
4-acetylmorpholine-2-carboxylic acid;ethane
CID 144675076
(2S)-4-[3-(2-methoxyphenyl)-2,2-dimethylpropanoyl]morpholine-2-carboxylic acid
CID 125150978

Frequently Asked Questions

What is the IUPAC name of 4-(2-methyl-2-thiophen-2-ylpropanoyl)morpholine-2-carboxylic acid?
The IUPAC name of 4-(2-methyl-2-thiophen-2-ylpropanoyl)morpholine-2-carboxylic acid (CID 119239024) is 4-(2-methyl-2-thiophen-2-ylpropanoyl)morpholine-2-carboxylic acid.
What is the SMILES notation for 4-(2-methyl-2-thiophen-2-ylpropanoyl)morpholine-2-carboxylic acid?
The canonical SMILES for 4-(2-methyl-2-thiophen-2-ylpropanoyl)morpholine-2-carboxylic acid is CC(C)(C(=O)N1CCOC(C(=O)O)C1)c1cccs1.
What is the InChIKey of 4-(2-methyl-2-thiophen-2-ylpropanoyl)morpholine-2-carboxylic acid?
The InChIKey is AJXWIFKBYPSZAK-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H17NO4S/c1-13(2,10-4-3-7-19-10)12(17)14-5-6-18-9(8-14)11(15)16/h3-4,7,9H,5-6,8H2,1-2H3,(H,15,16).
What are the key properties of 4-(2-methyl-2-thiophen-2-ylpropanoyl)morpholine-2-carboxylic acid?
4-(2-methyl-2-thiophen-2-ylpropanoyl)morpholine-2-carboxylic acid has a molecular weight of 283.35 g/mol, XLogP of 1.34, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(2-methyl-2-thiophen-2-ylpropanoyl)morpholine-2-carboxylic acid is sourced from PubChem (CID 119239024), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).