2-[(5R)-3-ethyl-2,4-dioxo-1,3-thiazolidin-5-yl]acetic acid

C7H9NO4S — CID 1384503

IUPAC2-[(5R)-3-ethyl-2,4-dioxo-1,3-thiazolidin-5-yl]acetic acid
SMILESCCN1C(=O)S[C@H](CC(=O)O)C1=O
InChIInChI=1S/C7H9NO4S/c1-2-8-6(11)4(3-5(9)10)13-7(8)12/h4H,2-3H2,1H3,(H,9,10)/t4-/m1/s1
InChIKeyOEXQUQKCOPKASO-SCSAIBSYSA-N
MW203.22 g/mol
LogP0.55
Rot. Bonds3

About 2-[(5R)-3-ethyl-2,4-dioxo-1,3-thiazolidin-5-yl]acetic acid

2-[(5R)-3-ethyl-2,4-dioxo-1,3-thiazolidin-5-yl]acetic acid (PubChem CID 1384503) has the molecular formula C7H9NO4S and a molecular weight of 203.22 g/mol. Its IUPAC name is 2-[(5R)-3-ethyl-2,4-dioxo-1,3-thiazolidin-5-yl]acetic acid.

Molecular Properties

Compound Name2-[(5R)-3-ethyl-2,4-dioxo-1,3-thiazolidin-5-yl]acetic acid
PubChem CID1384503
Molecular FormulaC7H9NO4S
Molecular Weight203.22 g/mol
Exact Mass203.03
IUPAC Name2-[(5R)-3-ethyl-2,4-dioxo-1,3-thiazolidin-5-yl]acetic acid
SMILESCCN1C(=O)S[C@H](CC(=O)O)C1=O
InChIInChI=1S/C7H9NO4S/c1-2-8-6(11)4(3-5(9)10)13-7(8)12/h4H,2-3H2,1H3,(H,9,10)/t4-/m1/s1
InChIKeyOEXQUQKCOPKASO-SCSAIBSYSA-N
XLogP0.55
TPSA74.68 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500203.22
LogP ≤ 50.55
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'thioester', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 2-[(5R)-3-ethyl-2,4-dioxo-1,3-thiazolidin-5-yl]acetic acid?
The IUPAC name of 2-[(5R)-3-ethyl-2,4-dioxo-1,3-thiazolidin-5-yl]acetic acid (CID 1384503) is 2-[(5R)-3-ethyl-2,4-dioxo-1,3-thiazolidin-5-yl]acetic acid.
What is the SMILES notation for 2-[(5R)-3-ethyl-2,4-dioxo-1,3-thiazolidin-5-yl]acetic acid?
The canonical SMILES for 2-[(5R)-3-ethyl-2,4-dioxo-1,3-thiazolidin-5-yl]acetic acid is CCN1C(=O)S[C@H](CC(=O)O)C1=O.
What is the InChIKey of 2-[(5R)-3-ethyl-2,4-dioxo-1,3-thiazolidin-5-yl]acetic acid?
The InChIKey is OEXQUQKCOPKASO-SCSAIBSYSA-N. The full InChI is InChI=1S/C7H9NO4S/c1-2-8-6(11)4(3-5(9)10)13-7(8)12/h4H,2-3H2,1H3,(H,9,10)/t4-/m1/s1.
What are the key properties of 2-[(5R)-3-ethyl-2,4-dioxo-1,3-thiazolidin-5-yl]acetic acid?
2-[(5R)-3-ethyl-2,4-dioxo-1,3-thiazolidin-5-yl]acetic acid has a molecular weight of 203.22 g/mol, XLogP of 0.55, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(5R)-3-ethyl-2,4-dioxo-1,3-thiazolidin-5-yl]acetic acid is sourced from PubChem (CID 1384503), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).