2-[[(2S,6R)-2,6-dimethylmorpholine-4-carbonyl]amino]-4,5-dimethylthiophene-3-carboxylic acid

C14H20N2O4S — CID 104959521

IUPAC2-[[(2S,6R)-2,6-dimethylmorpholine-4-carbonyl]amino]-4,5-dimethylthiophene-3-carboxylic acid
SMILESCc1sc(NC(=O)N2C[C@@H](C)O[C@@H](C)C2)c(C(=O)O)c1C
InChIInChI=1S/C14H20N2O4S/c1-7-5-16(6-8(2)20-7)14(19)15-12-11(13(17)18)9(3)10(4)21-12/h7-8H,5-6H2,1-4H3,(H,15,19)(H,17,18)/t7-,8+
InChIKeyWKIYCAOOPFHOCR-OCAPTIKFSA-N
MW312.39 g/mol
LogP2.70
Rot. Bonds2

About 2-[[(2S,6R)-2,6-dimethylmorpholine-4-carbonyl]amino]-4,5-dimethylthiophene-3-carboxylic acid

2-[[(2S,6R)-2,6-dimethylmorpholine-4-carbonyl]amino]-4,5-dimethylthiophene-3-carboxylic acid (PubChem CID 104959521) has the molecular formula C14H20N2O4S and a molecular weight of 312.39 g/mol. Its IUPAC name is 2-[[(2S,6R)-2,6-dimethylmorpholine-4-carbonyl]amino]-4,5-dimethylthiophene-3-carboxylic acid.

Molecular Properties

Compound Name2-[[(2S,6R)-2,6-dimethylmorpholine-4-carbonyl]amino]-4,5-dimethylthiophene-3-carboxylic acid
PubChem CID104959521
Molecular FormulaC14H20N2O4S
Molecular Weight312.39 g/mol
Exact Mass312.11
IUPAC Name2-[[(2S,6R)-2,6-dimethylmorpholine-4-carbonyl]amino]-4,5-dimethylthiophene-3-carboxylic acid
SMILESCc1sc(NC(=O)N2C[C@@H](C)O[C@@H](C)C2)c(C(=O)O)c1C
InChIInChI=1S/C14H20N2O4S/c1-7-5-16(6-8(2)20-7)14(19)15-12-11(13(17)18)9(3)10(4)21-12/h7-8H,5-6H2,1-4H3,(H,15,19)(H,17,18)/t7-,8+
InChIKeyWKIYCAOOPFHOCR-OCAPTIKFSA-N
XLogP2.70
TPSA78.87 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500312.39
LogP ≤ 52.70
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Analyze 2-[[(2S,6R)-2,6-dimethylmorpholine-4-carbonyl]amino]-4,5-dimethylthiophene-3-carboxylic acid with MolForge

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Related Compounds

2-[(4-hydroxy-3-methylpiperidine-1-carbonyl)amino]-4,5-dimethylthiophene-3-carboxylic acid
CID 114679422
4,5-dimethyl-2-[(1-oxo-1,4-thiazinane-4-carbonyl)amino]thiophene-3-carboxylic acid
CID 63114672
2-[(3-methoxypiperidine-1-carbonyl)amino]-4,5-dimethylthiophene-3-carboxylic acid
CID 102961703
4,5-dimethyl-2-[(4-methyl-1,4-diazepane-1-carbonyl)amino]thiophene-3-carboxylic acid
CID 63113547
[2-[(2S,6R)-2,6-dimethylmorpholin-4-yl]-2-oxoethyl] 2-acetamido-4,5-dimethylthiophene-3-carboxylate
CID 2483658
[2-(2,6-dimethylmorpholin-4-yl)-2-oxoethyl] 2-acetamido-4,5-dimethylthiophene-3-carboxylate
CID 18074129
1-[(3-methoxycarbonyl-4,5-dimethylthiophen-2-yl)carbamoyl]piperidine-4-carboxylic acid
CID 122078600
methyl 2-[[2-(2,6-dimethylmorpholin-4-yl)acetyl]amino]-4,5-dimethylthiophene-3-carboxylate
CID 6465207
(2R,6S)-N-[4-[[(2R,6S)-2,6-dimethylmorpholine-4-carbonyl]amino]phenyl]-2,6-dimethylmorpholine-4-carboxamide
CID 51983955
4,5-dimethyl-2-(methylcarbamoylamino)thiophene-3-carboxylic acid
CID 55219459
(2S,6S)-2,6-dimethyl-N-phenylmorpholine-4-carboxamide
CID 41097584
(2S,6R)-2,6-dimethyl-N-phenylmorpholine-4-carboxamide
CID 42545481

Frequently Asked Questions

What is the IUPAC name of 2-[[(2S,6R)-2,6-dimethylmorpholine-4-carbonyl]amino]-4,5-dimethylthiophene-3-carboxylic acid?
The IUPAC name of 2-[[(2S,6R)-2,6-dimethylmorpholine-4-carbonyl]amino]-4,5-dimethylthiophene-3-carboxylic acid (CID 104959521) is 2-[[(2S,6R)-2,6-dimethylmorpholine-4-carbonyl]amino]-4,5-dimethylthiophene-3-carboxylic acid.
What is the SMILES notation for 2-[[(2S,6R)-2,6-dimethylmorpholine-4-carbonyl]amino]-4,5-dimethylthiophene-3-carboxylic acid?
The canonical SMILES for 2-[[(2S,6R)-2,6-dimethylmorpholine-4-carbonyl]amino]-4,5-dimethylthiophene-3-carboxylic acid is Cc1sc(NC(=O)N2C[C@@H](C)O[C@@H](C)C2)c(C(=O)O)c1C.
What is the InChIKey of 2-[[(2S,6R)-2,6-dimethylmorpholine-4-carbonyl]amino]-4,5-dimethylthiophene-3-carboxylic acid?
The InChIKey is WKIYCAOOPFHOCR-OCAPTIKFSA-N. The full InChI is InChI=1S/C14H20N2O4S/c1-7-5-16(6-8(2)20-7)14(19)15-12-11(13(17)18)9(3)10(4)21-12/h7-8H,5-6H2,1-4H3,(H,15,19)(H,17,18)/t7-,8+.
What are the key properties of 2-[[(2S,6R)-2,6-dimethylmorpholine-4-carbonyl]amino]-4,5-dimethylthiophene-3-carboxylic acid?
2-[[(2S,6R)-2,6-dimethylmorpholine-4-carbonyl]amino]-4,5-dimethylthiophene-3-carboxylic acid has a molecular weight of 312.39 g/mol, XLogP of 2.70, 2 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[(2S,6R)-2,6-dimethylmorpholine-4-carbonyl]amino]-4,5-dimethylthiophene-3-carboxylic acid is sourced from PubChem (CID 104959521), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).