(3S)-5-morpholin-4-yl-5-oxo-3-thiophen-2-ylpentanoic acid

C13H17NO4S — CID 94703343

IUPAC(3S)-5-morpholin-4-yl-5-oxo-3-thiophen-2-ylpentanoic acid
SMILESO=C(O)C[C@H](CC(=O)N1CCOCC1)c1cccs1
InChIInChI=1S/C13H17NO4S/c15-12(14-3-5-18-6-4-14)8-10(9-13(16)17)11-2-1-7-19-11/h1-2,7,10H,3-6,8-9H2,(H,16,17)/t10-/m0/s1
InChIKeyQAMNWKGNDKSDOH-JTQLQIEISA-N
MW283.35 g/mol
LogP1.56
Rot. Bonds5

About (3S)-5-morpholin-4-yl-5-oxo-3-thiophen-2-ylpentanoic acid

(3S)-5-morpholin-4-yl-5-oxo-3-thiophen-2-ylpentanoic acid (PubChem CID 94703343) has the molecular formula C13H17NO4S and a molecular weight of 283.35 g/mol. Its IUPAC name is (3S)-5-morpholin-4-yl-5-oxo-3-thiophen-2-ylpentanoic acid.

Molecular Properties

Compound Name(3S)-5-morpholin-4-yl-5-oxo-3-thiophen-2-ylpentanoic acid
PubChem CID94703343
Molecular FormulaC13H17NO4S
Molecular Weight283.35 g/mol
Exact Mass283.09
IUPAC Name(3S)-5-morpholin-4-yl-5-oxo-3-thiophen-2-ylpentanoic acid
SMILESO=C(O)C[C@H](CC(=O)N1CCOCC1)c1cccs1
InChIInChI=1S/C13H17NO4S/c15-12(14-3-5-18-6-4-14)8-10(9-13(16)17)11-2-1-7-19-11/h1-2,7,10H,3-6,8-9H2,(H,16,17)/t10-/m0/s1
InChIKeyQAMNWKGNDKSDOH-JTQLQIEISA-N
XLogP1.56
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 ≤ 51.56
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of (3S)-5-morpholin-4-yl-5-oxo-3-thiophen-2-ylpentanoic acid?
The IUPAC name of (3S)-5-morpholin-4-yl-5-oxo-3-thiophen-2-ylpentanoic acid (CID 94703343) is (3S)-5-morpholin-4-yl-5-oxo-3-thiophen-2-ylpentanoic acid.
What is the SMILES notation for (3S)-5-morpholin-4-yl-5-oxo-3-thiophen-2-ylpentanoic acid?
The canonical SMILES for (3S)-5-morpholin-4-yl-5-oxo-3-thiophen-2-ylpentanoic acid is O=C(O)C[C@H](CC(=O)N1CCOCC1)c1cccs1.
What is the InChIKey of (3S)-5-morpholin-4-yl-5-oxo-3-thiophen-2-ylpentanoic acid?
The InChIKey is QAMNWKGNDKSDOH-JTQLQIEISA-N. The full InChI is InChI=1S/C13H17NO4S/c15-12(14-3-5-18-6-4-14)8-10(9-13(16)17)11-2-1-7-19-11/h1-2,7,10H,3-6,8-9H2,(H,16,17)/t10-/m0/s1.
What are the key properties of (3S)-5-morpholin-4-yl-5-oxo-3-thiophen-2-ylpentanoic acid?
(3S)-5-morpholin-4-yl-5-oxo-3-thiophen-2-ylpentanoic acid has a molecular weight of 283.35 g/mol, XLogP of 1.56, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (3S)-5-morpholin-4-yl-5-oxo-3-thiophen-2-ylpentanoic acid is sourced from PubChem (CID 94703343), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).