2-[(2S,3R)-5-oxo-2-(1,3-thiazol-5-yl)pyrrolidin-3-yl]acetic acid

C9H10N2O3S — CID 96603436

IUPAC2-[(2S,3R)-5-oxo-2-(1,3-thiazol-5-yl)pyrrolidin-3-yl]acetic acid
SMILESO=C(O)C[C@H]1CC(=O)N[C@@H]1c1cncs1
InChIInChI=1S/C9H10N2O3S/c12-7-1-5(2-8(13)14)9(11-7)6-3-10-4-15-6/h3-5,9H,1-2H2,(H,11,12)(H,13,14)/t5-,9+/m1/s1
InChIKeyRJDRZLWXOJRWJN-ANLVUFKYSA-N
MW226.26 g/mol
LogP0.80
Rot. Bonds3

About 2-[(2S,3R)-5-oxo-2-(1,3-thiazol-5-yl)pyrrolidin-3-yl]acetic acid

2-[(2S,3R)-5-oxo-2-(1,3-thiazol-5-yl)pyrrolidin-3-yl]acetic acid (PubChem CID 96603436) has the molecular formula C9H10N2O3S and a molecular weight of 226.26 g/mol. Its IUPAC name is 2-[(2S,3R)-5-oxo-2-(1,3-thiazol-5-yl)pyrrolidin-3-yl]acetic acid.

Molecular Properties

Compound Name2-[(2S,3R)-5-oxo-2-(1,3-thiazol-5-yl)pyrrolidin-3-yl]acetic acid
PubChem CID96603436
Molecular FormulaC9H10N2O3S
Molecular Weight226.26 g/mol
Exact Mass226.04
IUPAC Name2-[(2S,3R)-5-oxo-2-(1,3-thiazol-5-yl)pyrrolidin-3-yl]acetic acid
SMILESO=C(O)C[C@H]1CC(=O)N[C@@H]1c1cncs1
InChIInChI=1S/C9H10N2O3S/c12-7-1-5(2-8(13)14)9(11-7)6-3-10-4-15-6/h3-5,9H,1-2H2,(H,11,12)(H,13,14)/t5-,9+/m1/s1
InChIKeyRJDRZLWXOJRWJN-ANLVUFKYSA-N
XLogP0.80
TPSA79.29 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500226.26
LogP ≤ 50.80
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-[(2S,3R)-5-oxo-2-(1,3-thiazol-5-yl)pyrrolidin-3-yl]acetic acid?
The IUPAC name of 2-[(2S,3R)-5-oxo-2-(1,3-thiazol-5-yl)pyrrolidin-3-yl]acetic acid (CID 96603436) is 2-[(2S,3R)-5-oxo-2-(1,3-thiazol-5-yl)pyrrolidin-3-yl]acetic acid.
What is the SMILES notation for 2-[(2S,3R)-5-oxo-2-(1,3-thiazol-5-yl)pyrrolidin-3-yl]acetic acid?
The canonical SMILES for 2-[(2S,3R)-5-oxo-2-(1,3-thiazol-5-yl)pyrrolidin-3-yl]acetic acid is O=C(O)C[C@H]1CC(=O)N[C@@H]1c1cncs1.
What is the InChIKey of 2-[(2S,3R)-5-oxo-2-(1,3-thiazol-5-yl)pyrrolidin-3-yl]acetic acid?
The InChIKey is RJDRZLWXOJRWJN-ANLVUFKYSA-N. The full InChI is InChI=1S/C9H10N2O3S/c12-7-1-5(2-8(13)14)9(11-7)6-3-10-4-15-6/h3-5,9H,1-2H2,(H,11,12)(H,13,14)/t5-,9+/m1/s1.
What are the key properties of 2-[(2S,3R)-5-oxo-2-(1,3-thiazol-5-yl)pyrrolidin-3-yl]acetic acid?
2-[(2S,3R)-5-oxo-2-(1,3-thiazol-5-yl)pyrrolidin-3-yl]acetic acid has a molecular weight of 226.26 g/mol, XLogP of 0.80, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(2S,3R)-5-oxo-2-(1,3-thiazol-5-yl)pyrrolidin-3-yl]acetic acid is sourced from PubChem (CID 96603436), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).