(3R)-5-oxothiomorpholine-3-carboxylic acid

C5H7NO3S — CID 773938

IUPAC(3R)-5-oxothiomorpholine-3-carboxylic acid
SMILESO=C1CSC[C@@H](C(=O)O)N1
InChIInChI=1S/C5H7NO3S/c7-4-2-10-1-3(6-4)5(8)9/h3H,1-2H2,(H,6,7)(H,8,9)/t3-/m0/s1
InChIKeyZCITVSIKDJSWSS-VKHMYHEASA-N
MW161.18 g/mol
LogP-0.70
Rot. Bonds1

About (3R)-5-oxothiomorpholine-3-carboxylic acid

(3R)-5-oxothiomorpholine-3-carboxylic acid (PubChem CID 773938) has the molecular formula C5H7NO3S and a molecular weight of 161.18 g/mol. Its IUPAC name is (3R)-5-oxothiomorpholine-3-carboxylic acid.

Molecular Properties

Compound Name(3R)-5-oxothiomorpholine-3-carboxylic acid
PubChem CID773938
Molecular FormulaC5H7NO3S
Molecular Weight161.18 g/mol
Exact Mass161.01
IUPAC Name(3R)-5-oxothiomorpholine-3-carboxylic acid
SMILESO=C1CSC[C@@H](C(=O)O)N1
InChIInChI=1S/C5H7NO3S/c7-4-2-10-1-3(6-4)5(8)9/h3H,1-2H2,(H,6,7)(H,8,9)/t3-/m0/s1
InChIKeyZCITVSIKDJSWSS-VKHMYHEASA-N
XLogP-0.70
TPSA66.40 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500161.18
LogP ≤ 5-0.70
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of (3R)-5-oxothiomorpholine-3-carboxylic acid?
The IUPAC name of (3R)-5-oxothiomorpholine-3-carboxylic acid (CID 773938) is (3R)-5-oxothiomorpholine-3-carboxylic acid.
What is the SMILES notation for (3R)-5-oxothiomorpholine-3-carboxylic acid?
The canonical SMILES for (3R)-5-oxothiomorpholine-3-carboxylic acid is O=C1CSC[C@@H](C(=O)O)N1.
What is the InChIKey of (3R)-5-oxothiomorpholine-3-carboxylic acid?
The InChIKey is ZCITVSIKDJSWSS-VKHMYHEASA-N. The full InChI is InChI=1S/C5H7NO3S/c7-4-2-10-1-3(6-4)5(8)9/h3H,1-2H2,(H,6,7)(H,8,9)/t3-/m0/s1.
What are the key properties of (3R)-5-oxothiomorpholine-3-carboxylic acid?
(3R)-5-oxothiomorpholine-3-carboxylic acid has a molecular weight of 161.18 g/mol, XLogP of -0.70, 1 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (3R)-5-oxothiomorpholine-3-carboxylic acid is sourced from PubChem (CID 773938), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).