(2R)-4-hydroxy-2-methyl-4-(thiophen-2-ylmethyl)pyrrolidine-1-carboxylic acid

C11H15NO3S — CID 57197445

IUPAC(2R)-4-hydroxy-2-methyl-4-(thiophen-2-ylmethyl)pyrrolidine-1-carboxylic acid
SMILESC[C@@H]1CC(O)(Cc2cccs2)CN1C(=O)O
InChIInChI=1S/C11H15NO3S/c1-8-5-11(15,7-12(8)10(13)14)6-9-3-2-4-16-9/h2-4,8,15H,5-7H2,1H3,(H,13,14)/t8-,11?/m1/s1
InChIKeyOXVJCDWAKPJVHY-RZZZFEHKSA-N
MW241.31 g/mol
LogP1.79
Rot. Bonds2

About (2R)-4-hydroxy-2-methyl-4-(thiophen-2-ylmethyl)pyrrolidine-1-carboxylic acid

(2R)-4-hydroxy-2-methyl-4-(thiophen-2-ylmethyl)pyrrolidine-1-carboxylic acid (PubChem CID 57197445) has the molecular formula C11H15NO3S and a molecular weight of 241.31 g/mol. Its IUPAC name is (2R)-4-hydroxy-2-methyl-4-(thiophen-2-ylmethyl)pyrrolidine-1-carboxylic acid.

Molecular Properties

Compound Name(2R)-4-hydroxy-2-methyl-4-(thiophen-2-ylmethyl)pyrrolidine-1-carboxylic acid
PubChem CID57197445
Molecular FormulaC11H15NO3S
Molecular Weight241.31 g/mol
Exact Mass241.08
IUPAC Name(2R)-4-hydroxy-2-methyl-4-(thiophen-2-ylmethyl)pyrrolidine-1-carboxylic acid
SMILESC[C@@H]1CC(O)(Cc2cccs2)CN1C(=O)O
InChIInChI=1S/C11H15NO3S/c1-8-5-11(15,7-12(8)10(13)14)6-9-3-2-4-16-9/h2-4,8,15H,5-7H2,1H3,(H,13,14)/t8-,11?/m1/s1
InChIKeyOXVJCDWAKPJVHY-RZZZFEHKSA-N
XLogP1.79
TPSA60.77 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500241.31
LogP ≤ 51.79
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of (2R)-4-hydroxy-2-methyl-4-(thiophen-2-ylmethyl)pyrrolidine-1-carboxylic acid?
The IUPAC name of (2R)-4-hydroxy-2-methyl-4-(thiophen-2-ylmethyl)pyrrolidine-1-carboxylic acid (CID 57197445) is (2R)-4-hydroxy-2-methyl-4-(thiophen-2-ylmethyl)pyrrolidine-1-carboxylic acid.
What is the SMILES notation for (2R)-4-hydroxy-2-methyl-4-(thiophen-2-ylmethyl)pyrrolidine-1-carboxylic acid?
The canonical SMILES for (2R)-4-hydroxy-2-methyl-4-(thiophen-2-ylmethyl)pyrrolidine-1-carboxylic acid is C[C@@H]1CC(O)(Cc2cccs2)CN1C(=O)O.
What is the InChIKey of (2R)-4-hydroxy-2-methyl-4-(thiophen-2-ylmethyl)pyrrolidine-1-carboxylic acid?
The InChIKey is OXVJCDWAKPJVHY-RZZZFEHKSA-N. The full InChI is InChI=1S/C11H15NO3S/c1-8-5-11(15,7-12(8)10(13)14)6-9-3-2-4-16-9/h2-4,8,15H,5-7H2,1H3,(H,13,14)/t8-,11?/m1/s1.
What are the key properties of (2R)-4-hydroxy-2-methyl-4-(thiophen-2-ylmethyl)pyrrolidine-1-carboxylic acid?
(2R)-4-hydroxy-2-methyl-4-(thiophen-2-ylmethyl)pyrrolidine-1-carboxylic acid has a molecular weight of 241.31 g/mol, XLogP of 1.79, 2 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-4-hydroxy-2-methyl-4-(thiophen-2-ylmethyl)pyrrolidine-1-carboxylic acid is sourced from PubChem (CID 57197445), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).