2-[(2-methylmorpholine-4-carbonyl)amino]thiophene-3-carboxylic acid

C11H14N2O4S — CID 63113580

IUPAC2-[(2-methylmorpholine-4-carbonyl)amino]thiophene-3-carboxylic acid
SMILESCC1CN(C(=O)Nc2sccc2C(=O)O)CCO1
InChIInChI=1S/C11H14N2O4S/c1-7-6-13(3-4-17-7)11(16)12-9-8(10(14)15)2-5-18-9/h2,5,7H,3-4,6H2,1H3,(H,12,16)(H,14,15)
InChIKeyWPVIEHIAICTHTC-UHFFFAOYSA-N
MW270.31 g/mol
LogP1.70
Rot. Bonds2

About 2-[(2-methylmorpholine-4-carbonyl)amino]thiophene-3-carboxylic acid

2-[(2-methylmorpholine-4-carbonyl)amino]thiophene-3-carboxylic acid (PubChem CID 63113580) has the molecular formula C11H14N2O4S and a molecular weight of 270.31 g/mol. Its IUPAC name is 2-[(2-methylmorpholine-4-carbonyl)amino]thiophene-3-carboxylic acid.

Molecular Properties

Compound Name2-[(2-methylmorpholine-4-carbonyl)amino]thiophene-3-carboxylic acid
PubChem CID63113580
Molecular FormulaC11H14N2O4S
Molecular Weight270.31 g/mol
Exact Mass270.07
IUPAC Name2-[(2-methylmorpholine-4-carbonyl)amino]thiophene-3-carboxylic acid
SMILESCC1CN(C(=O)Nc2sccc2C(=O)O)CCO1
InChIInChI=1S/C11H14N2O4S/c1-7-6-13(3-4-17-7)11(16)12-9-8(10(14)15)2-5-18-9/h2,5,7H,3-4,6H2,1H3,(H,12,16)(H,14,15)
InChIKeyWPVIEHIAICTHTC-UHFFFAOYSA-N
XLogP1.70
TPSA78.87 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500270.31
LogP ≤ 51.70
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

2-chloro-4-[(2-methylmorpholine-4-carbonyl)amino]benzoic acid
CID 61398640
2-[(2,2,6,6-tetramethylmorpholine-4-carbonyl)amino]thiophene-3-carboxylic acid
CID 102744842
2-(3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrole-2-carbonylamino)thiophene-3-carboxylic acid
CID 115560759
2-[(4-methylazepane-1-carbonyl)amino]thiophene-3-carboxylic acid
CID 63627404
2-[[3-(1-hydroxyethyl)pyrrolidine-1-carbonyl]amino]thiophene-3-carboxylic acid
CID 112626687
2-hydroxy-3-[(2-methylmorpholine-4-carbonyl)amino]benzoic acid
CID 104833442
2-[(3-hydroxy-3-methylazetidine-1-carbonyl)amino]thiophene-3-carboxylic acid
CID 107223804
2-[[2-[(2S)-2-methylmorpholin-4-yl]acetyl]amino]thiophene-3-carboxamide
CID 30238407
2-[(2,3,5-trimethylpiperidine-1-carbonyl)amino]thiophene-3-carboxylic acid
CID 114594297
3,5-dichloro-2-[(2-methylmorpholine-4-carbonyl)amino]benzoic acid
CID 61188726
(3-bromothiophen-2-yl)-(2-methylmorpholin-4-yl)methanone
CID 47039165
2-[[4-(cyclopropylmethyl)piperazine-1-carbonyl]amino]thiophene-3-carboxylic acid
CID 63114341

Frequently Asked Questions

What is the IUPAC name of 2-[(2-methylmorpholine-4-carbonyl)amino]thiophene-3-carboxylic acid?
The IUPAC name of 2-[(2-methylmorpholine-4-carbonyl)amino]thiophene-3-carboxylic acid (CID 63113580) is 2-[(2-methylmorpholine-4-carbonyl)amino]thiophene-3-carboxylic acid.
What is the SMILES notation for 2-[(2-methylmorpholine-4-carbonyl)amino]thiophene-3-carboxylic acid?
The canonical SMILES for 2-[(2-methylmorpholine-4-carbonyl)amino]thiophene-3-carboxylic acid is CC1CN(C(=O)Nc2sccc2C(=O)O)CCO1.
What is the InChIKey of 2-[(2-methylmorpholine-4-carbonyl)amino]thiophene-3-carboxylic acid?
The InChIKey is WPVIEHIAICTHTC-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H14N2O4S/c1-7-6-13(3-4-17-7)11(16)12-9-8(10(14)15)2-5-18-9/h2,5,7H,3-4,6H2,1H3,(H,12,16)(H,14,15).
What are the key properties of 2-[(2-methylmorpholine-4-carbonyl)amino]thiophene-3-carboxylic acid?
2-[(2-methylmorpholine-4-carbonyl)amino]thiophene-3-carboxylic acid has a molecular weight of 270.31 g/mol, XLogP of 1.70, 2 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(2-methylmorpholine-4-carbonyl)amino]thiophene-3-carboxylic acid is sourced from PubChem (CID 63113580), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).