5-[[3-(propan-2-ylcarbamoyl)morpholin-4-yl]methyl]thiophene-2-carboxylic acid

C14H20N2O4S — CID 83102647

IUPAC5-[[3-(propan-2-ylcarbamoyl)morpholin-4-yl]methyl]thiophene-2-carboxylic acid
SMILESCC(C)NC(=O)C1COCCN1Cc1ccc(C(=O)O)s1
InChIInChI=1S/C14H20N2O4S/c1-9(2)15-13(17)11-8-20-6-5-16(11)7-10-3-4-12(21-10)14(18)19/h3-4,9,11H,5-8H2,1-2H3,(H,15,17)(H,18,19)
InChIKeyFHKMGIMNBBNNAI-UHFFFAOYSA-N
MW312.39 g/mol
LogP1.17
Rot. Bonds5

About 5-[[3-(propan-2-ylcarbamoyl)morpholin-4-yl]methyl]thiophene-2-carboxylic acid

5-[[3-(propan-2-ylcarbamoyl)morpholin-4-yl]methyl]thiophene-2-carboxylic acid (PubChem CID 83102647) has the molecular formula C14H20N2O4S and a molecular weight of 312.39 g/mol. Its IUPAC name is 5-[[3-(propan-2-ylcarbamoyl)morpholin-4-yl]methyl]thiophene-2-carboxylic acid.

Molecular Properties

Compound Name5-[[3-(propan-2-ylcarbamoyl)morpholin-4-yl]methyl]thiophene-2-carboxylic acid
PubChem CID83102647
Molecular FormulaC14H20N2O4S
Molecular Weight312.39 g/mol
Exact Mass312.11
IUPAC Name5-[[3-(propan-2-ylcarbamoyl)morpholin-4-yl]methyl]thiophene-2-carboxylic acid
SMILESCC(C)NC(=O)C1COCCN1Cc1ccc(C(=O)O)s1
InChIInChI=1S/C14H20N2O4S/c1-9(2)15-13(17)11-8-20-6-5-16(11)7-10-3-4-12(21-10)14(18)19/h3-4,9,11H,5-8H2,1-2H3,(H,15,17)(H,18,19)
InChIKeyFHKMGIMNBBNNAI-UHFFFAOYSA-N
XLogP1.17
TPSA78.87 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500312.39
LogP ≤ 51.17
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

4-[[2-(aminomethyl)phenyl]methyl]-N-propan-2-ylmorpholine-3-carboxamide
CID 83098587
4-(2-oxo-2-thiophen-2-ylethyl)-N-propan-2-ylmorpholine-3-carboxamide
CID 83103891
4-[(5-amino-2-chlorophenyl)methyl]-N-propan-2-ylmorpholine-3-carboxamide
CID 83098354
5-[[3-(4-methoxyphenyl)morpholin-4-yl]methyl]thiophene-2-carboxylic acid
CID 138030445
4-[[4-(methylamino)-2-pyridinyl]methyl]-N-propan-2-ylmorpholine-3-carboxamide
CID 83105350
4-[(3-amino-2-fluorophenyl)methyl]-N-propan-2-ylmorpholine-3-carboxamide
CID 107347522
potassium trifluoro-[[3-(propan-2-ylcarbamoyl)morpholin-4-yl]methyl]boranuide
CID 83104637
4-(2-cyclopentyl-2-oxoethyl)-N-propan-2-ylmorpholine-3-carboxamide
CID 104751052
4-(2,3-diamino-3-oxopropyl)-N-propan-2-ylmorpholine-3-carboxamide
CID 83103304
4-[2-oxo-2-(oxolan-3-yl)ethyl]-N-propan-2-ylmorpholine-3-carboxamide
CID 104751051
5-methyl-4-[[3-(methylcarbamoyl)morpholin-4-yl]methyl]thiophene-2-carboxylic acid
CID 83102863
4-[2-(aminomethyl)-3-chlorophenyl]-N-propan-2-ylmorpholine-3-carboxamide
CID 83097593

Frequently Asked Questions

What is the IUPAC name of 5-[[3-(propan-2-ylcarbamoyl)morpholin-4-yl]methyl]thiophene-2-carboxylic acid?
The IUPAC name of 5-[[3-(propan-2-ylcarbamoyl)morpholin-4-yl]methyl]thiophene-2-carboxylic acid (CID 83102647) is 5-[[3-(propan-2-ylcarbamoyl)morpholin-4-yl]methyl]thiophene-2-carboxylic acid.
What is the SMILES notation for 5-[[3-(propan-2-ylcarbamoyl)morpholin-4-yl]methyl]thiophene-2-carboxylic acid?
The canonical SMILES for 5-[[3-(propan-2-ylcarbamoyl)morpholin-4-yl]methyl]thiophene-2-carboxylic acid is CC(C)NC(=O)C1COCCN1Cc1ccc(C(=O)O)s1.
What is the InChIKey of 5-[[3-(propan-2-ylcarbamoyl)morpholin-4-yl]methyl]thiophene-2-carboxylic acid?
The InChIKey is FHKMGIMNBBNNAI-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H20N2O4S/c1-9(2)15-13(17)11-8-20-6-5-16(11)7-10-3-4-12(21-10)14(18)19/h3-4,9,11H,5-8H2,1-2H3,(H,15,17)(H,18,19).
What are the key properties of 5-[[3-(propan-2-ylcarbamoyl)morpholin-4-yl]methyl]thiophene-2-carboxylic acid?
5-[[3-(propan-2-ylcarbamoyl)morpholin-4-yl]methyl]thiophene-2-carboxylic acid has a molecular weight of 312.39 g/mol, XLogP of 1.17, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[[3-(propan-2-ylcarbamoyl)morpholin-4-yl]methyl]thiophene-2-carboxylic acid is sourced from PubChem (CID 83102647), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).