(2S)-4-hydroxy-1-[(2-methyl-1,3-thiazol-5-yl)sulfonyl]pyrrolidine-2-carboxylic acid

C9H12N2O5S2 — CID 103414142

IUPAC(2S)-4-hydroxy-1-[(2-methyl-1,3-thiazol-5-yl)sulfonyl]pyrrolidine-2-carboxylic acid
SMILESCc1ncc(S(=O)(=O)N2CC(O)C[C@H]2C(=O)O)s1
InChIInChI=1S/C9H12N2O5S2/c1-5-10-3-8(17-5)18(15,16)11-4-6(12)2-7(11)9(13)14/h3,6-7,12H,2,4H2,1H3,(H,13,14)/t6?,7-/m0/s1
InChIKeyRBSYDUAZIBNHGC-MLWJPKLSSA-N
MW292.34 g/mol
LogP-0.34
Rot. Bonds3

About (2S)-4-hydroxy-1-[(2-methyl-1,3-thiazol-5-yl)sulfonyl]pyrrolidine-2-carboxylic acid

(2S)-4-hydroxy-1-[(2-methyl-1,3-thiazol-5-yl)sulfonyl]pyrrolidine-2-carboxylic acid (PubChem CID 103414142) has the molecular formula C9H12N2O5S2 and a molecular weight of 292.34 g/mol. Its IUPAC name is (2S)-4-hydroxy-1-[(2-methyl-1,3-thiazol-5-yl)sulfonyl]pyrrolidine-2-carboxylic acid.

Molecular Properties

Compound Name(2S)-4-hydroxy-1-[(2-methyl-1,3-thiazol-5-yl)sulfonyl]pyrrolidine-2-carboxylic acid
PubChem CID103414142
Molecular FormulaC9H12N2O5S2
Molecular Weight292.34 g/mol
Exact Mass292.02
IUPAC Name(2S)-4-hydroxy-1-[(2-methyl-1,3-thiazol-5-yl)sulfonyl]pyrrolidine-2-carboxylic acid
SMILESCc1ncc(S(=O)(=O)N2CC(O)C[C@H]2C(=O)O)s1
InChIInChI=1S/C9H12N2O5S2/c1-5-10-3-8(17-5)18(15,16)11-4-6(12)2-7(11)9(13)14/h3,6-7,12H,2,4H2,1H3,(H,13,14)/t6?,7-/m0/s1
InChIKeyRBSYDUAZIBNHGC-MLWJPKLSSA-N
XLogP-0.34
TPSA107.80 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500292.34
LogP ≤ 5-0.34
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of (2S)-4-hydroxy-1-[(2-methyl-1,3-thiazol-5-yl)sulfonyl]pyrrolidine-2-carboxylic acid?
The IUPAC name of (2S)-4-hydroxy-1-[(2-methyl-1,3-thiazol-5-yl)sulfonyl]pyrrolidine-2-carboxylic acid (CID 103414142) is (2S)-4-hydroxy-1-[(2-methyl-1,3-thiazol-5-yl)sulfonyl]pyrrolidine-2-carboxylic acid.
What is the SMILES notation for (2S)-4-hydroxy-1-[(2-methyl-1,3-thiazol-5-yl)sulfonyl]pyrrolidine-2-carboxylic acid?
The canonical SMILES for (2S)-4-hydroxy-1-[(2-methyl-1,3-thiazol-5-yl)sulfonyl]pyrrolidine-2-carboxylic acid is Cc1ncc(S(=O)(=O)N2CC(O)C[C@H]2C(=O)O)s1.
What is the InChIKey of (2S)-4-hydroxy-1-[(2-methyl-1,3-thiazol-5-yl)sulfonyl]pyrrolidine-2-carboxylic acid?
The InChIKey is RBSYDUAZIBNHGC-MLWJPKLSSA-N. The full InChI is InChI=1S/C9H12N2O5S2/c1-5-10-3-8(17-5)18(15,16)11-4-6(12)2-7(11)9(13)14/h3,6-7,12H,2,4H2,1H3,(H,13,14)/t6?,7-/m0/s1.
What are the key properties of (2S)-4-hydroxy-1-[(2-methyl-1,3-thiazol-5-yl)sulfonyl]pyrrolidine-2-carboxylic acid?
(2S)-4-hydroxy-1-[(2-methyl-1,3-thiazol-5-yl)sulfonyl]pyrrolidine-2-carboxylic acid has a molecular weight of 292.34 g/mol, XLogP of -0.34, 3 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-4-hydroxy-1-[(2-methyl-1,3-thiazol-5-yl)sulfonyl]pyrrolidine-2-carboxylic acid is sourced from PubChem (CID 103414142), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).