2-[methyl-[(4R)-2-oxo-1,3-thiazolidine-4-carbonyl]amino]acetic acid

C7H10N2O4S — CID 28789995

IUPAC2-[methyl-[(4R)-2-oxo-1,3-thiazolidine-4-carbonyl]amino]acetic acid
SMILESCN(CC(=O)O)C(=O)[C@@H]1CSC(=O)N1
InChIInChI=1S/C7H10N2O4S/c1-9(2-5(10)11)6(12)4-3-14-7(13)8-4/h4H,2-3H2,1H3,(H,8,13)(H,10,11)/t4-/m0/s1
InChIKeyOHWXVIUPVBOVEP-BYPYZUCNSA-N
MW218.23 g/mol
LogP-0.65
Rot. Bonds3

About 2-[methyl-[(4R)-2-oxo-1,3-thiazolidine-4-carbonyl]amino]acetic acid

2-[methyl-[(4R)-2-oxo-1,3-thiazolidine-4-carbonyl]amino]acetic acid (PubChem CID 28789995) has the molecular formula C7H10N2O4S and a molecular weight of 218.23 g/mol. Its IUPAC name is 2-[methyl-[(4R)-2-oxo-1,3-thiazolidine-4-carbonyl]amino]acetic acid.

Molecular Properties

Compound Name2-[methyl-[(4R)-2-oxo-1,3-thiazolidine-4-carbonyl]amino]acetic acid
PubChem CID28789995
Molecular FormulaC7H10N2O4S
Molecular Weight218.23 g/mol
Exact Mass218.04
IUPAC Name2-[methyl-[(4R)-2-oxo-1,3-thiazolidine-4-carbonyl]amino]acetic acid
SMILESCN(CC(=O)O)C(=O)[C@@H]1CSC(=O)N1
InChIInChI=1S/C7H10N2O4S/c1-9(2-5(10)11)6(12)4-3-14-7(13)8-4/h4H,2-3H2,1H3,(H,8,13)(H,10,11)/t4-/m0/s1
InChIKeyOHWXVIUPVBOVEP-BYPYZUCNSA-N
XLogP-0.65
TPSA86.71 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500218.23
LogP ≤ 5-0.65
H-Bond Donors ≤ 52
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-[methyl-[(4R)-2-oxo-1,3-thiazolidine-4-carbonyl]amino]acetic acid?
The IUPAC name of 2-[methyl-[(4R)-2-oxo-1,3-thiazolidine-4-carbonyl]amino]acetic acid (CID 28789995) is 2-[methyl-[(4R)-2-oxo-1,3-thiazolidine-4-carbonyl]amino]acetic acid.
What is the SMILES notation for 2-[methyl-[(4R)-2-oxo-1,3-thiazolidine-4-carbonyl]amino]acetic acid?
The canonical SMILES for 2-[methyl-[(4R)-2-oxo-1,3-thiazolidine-4-carbonyl]amino]acetic acid is CN(CC(=O)O)C(=O)[C@@H]1CSC(=O)N1.
What is the InChIKey of 2-[methyl-[(4R)-2-oxo-1,3-thiazolidine-4-carbonyl]amino]acetic acid?
The InChIKey is OHWXVIUPVBOVEP-BYPYZUCNSA-N. The full InChI is InChI=1S/C7H10N2O4S/c1-9(2-5(10)11)6(12)4-3-14-7(13)8-4/h4H,2-3H2,1H3,(H,8,13)(H,10,11)/t4-/m0/s1.
What are the key properties of 2-[methyl-[(4R)-2-oxo-1,3-thiazolidine-4-carbonyl]amino]acetic acid?
2-[methyl-[(4R)-2-oxo-1,3-thiazolidine-4-carbonyl]amino]acetic acid has a molecular weight of 218.23 g/mol, XLogP of -0.65, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[methyl-[(4R)-2-oxo-1,3-thiazolidine-4-carbonyl]amino]acetic acid is sourced from PubChem (CID 28789995), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).