4-morpholin-4-yl-4-oxo-2-(thiophen-2-ylmethyl)butanoic acid

C13H17NO4S — CID 72829185

IUPAC4-morpholin-4-yl-4-oxo-2-(thiophen-2-ylmethyl)butanoic acid
SMILESO=C(O)C(CC(=O)N1CCOCC1)Cc1cccs1
InChIInChI=1S/C13H17NO4S/c15-12(14-3-5-18-6-4-14)9-10(13(16)17)8-11-2-1-7-19-11/h1-2,7,10H,3-6,8-9H2,(H,16,17)
InChIKeyFOMQTNXDXBDQQY-UHFFFAOYSA-N
MW283.35 g/mol
LogP1.24
Rot. Bonds5

About 4-morpholin-4-yl-4-oxo-2-(thiophen-2-ylmethyl)butanoic acid

4-morpholin-4-yl-4-oxo-2-(thiophen-2-ylmethyl)butanoic acid (PubChem CID 72829185) has the molecular formula C13H17NO4S and a molecular weight of 283.35 g/mol. Its IUPAC name is 4-morpholin-4-yl-4-oxo-2-(thiophen-2-ylmethyl)butanoic acid.

Molecular Properties

Compound Name4-morpholin-4-yl-4-oxo-2-(thiophen-2-ylmethyl)butanoic acid
PubChem CID72829185
Molecular FormulaC13H17NO4S
Molecular Weight283.35 g/mol
Exact Mass283.09
IUPAC Name4-morpholin-4-yl-4-oxo-2-(thiophen-2-ylmethyl)butanoic acid
SMILESO=C(O)C(CC(=O)N1CCOCC1)Cc1cccs1
InChIInChI=1S/C13H17NO4S/c15-12(14-3-5-18-6-4-14)9-10(13(16)17)8-11-2-1-7-19-11/h1-2,7,10H,3-6,8-9H2,(H,16,17)
InChIKeyFOMQTNXDXBDQQY-UHFFFAOYSA-N
XLogP1.24
TPSA66.84 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500283.35
LogP ≤ 51.24
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 4-morpholin-4-yl-4-oxo-2-(thiophen-2-ylmethyl)butanoic acid?
The IUPAC name of 4-morpholin-4-yl-4-oxo-2-(thiophen-2-ylmethyl)butanoic acid (CID 72829185) is 4-morpholin-4-yl-4-oxo-2-(thiophen-2-ylmethyl)butanoic acid.
What is the SMILES notation for 4-morpholin-4-yl-4-oxo-2-(thiophen-2-ylmethyl)butanoic acid?
The canonical SMILES for 4-morpholin-4-yl-4-oxo-2-(thiophen-2-ylmethyl)butanoic acid is O=C(O)C(CC(=O)N1CCOCC1)Cc1cccs1.
What is the InChIKey of 4-morpholin-4-yl-4-oxo-2-(thiophen-2-ylmethyl)butanoic acid?
The InChIKey is FOMQTNXDXBDQQY-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H17NO4S/c15-12(14-3-5-18-6-4-14)9-10(13(16)17)8-11-2-1-7-19-11/h1-2,7,10H,3-6,8-9H2,(H,16,17).
What are the key properties of 4-morpholin-4-yl-4-oxo-2-(thiophen-2-ylmethyl)butanoic acid?
4-morpholin-4-yl-4-oxo-2-(thiophen-2-ylmethyl)butanoic acid has a molecular weight of 283.35 g/mol, XLogP of 1.24, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-morpholin-4-yl-4-oxo-2-(thiophen-2-ylmethyl)butanoic acid is sourced from PubChem (CID 72829185), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).