(2R)-2-[hydroxy(diphenyl)methyl]pyrrolidine-1-sulfonic acid

C17H19NO4S — CID 71426341

IUPAC(2R)-2-[hydroxy(diphenyl)methyl]pyrrolidine-1-sulfonic acid
SMILESO=S(=O)(O)N1CCC[C@@H]1C(O)(c1ccccc1)c1ccccc1
InChIInChI=1S/C17H19NO4S/c19-17(14-8-3-1-4-9-14,15-10-5-2-6-11-15)16-12-7-13-18(16)23(20,21)22/h1-6,8-11,16,19H,7,12-13H2,(H,20,21,22)/t16-/m1/s1
InChIKeyPTMUNQVTYYQRGB-MRXNPFEDSA-N
MW333.41 g/mol
LogP2.19
Rot. Bonds4

About (2R)-2-[hydroxy(diphenyl)methyl]pyrrolidine-1-sulfonic acid

(2R)-2-[hydroxy(diphenyl)methyl]pyrrolidine-1-sulfonic acid (PubChem CID 71426341) has the molecular formula C17H19NO4S and a molecular weight of 333.41 g/mol. Its IUPAC name is (2R)-2-[hydroxy(diphenyl)methyl]pyrrolidine-1-sulfonic acid.

Molecular Properties

Compound Name(2R)-2-[hydroxy(diphenyl)methyl]pyrrolidine-1-sulfonic acid
PubChem CID71426341
Molecular FormulaC17H19NO4S
Molecular Weight333.41 g/mol
Exact Mass333.10
IUPAC Name(2R)-2-[hydroxy(diphenyl)methyl]pyrrolidine-1-sulfonic acid
SMILESO=S(=O)(O)N1CCC[C@@H]1C(O)(c1ccccc1)c1ccccc1
InChIInChI=1S/C17H19NO4S/c19-17(14-8-3-1-4-9-14,15-10-5-2-6-11-15)16-12-7-13-18(16)23(20,21)22/h1-6,8-11,16,19H,7,12-13H2,(H,20,21,22)/t16-/m1/s1
InChIKeyPTMUNQVTYYQRGB-MRXNPFEDSA-N
XLogP2.19
TPSA77.84 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500333.41
LogP ≤ 52.19
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Sulfonic_acid_2', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of (2R)-2-[hydroxy(diphenyl)methyl]pyrrolidine-1-sulfonic acid?
The IUPAC name of (2R)-2-[hydroxy(diphenyl)methyl]pyrrolidine-1-sulfonic acid (CID 71426341) is (2R)-2-[hydroxy(diphenyl)methyl]pyrrolidine-1-sulfonic acid.
What is the SMILES notation for (2R)-2-[hydroxy(diphenyl)methyl]pyrrolidine-1-sulfonic acid?
The canonical SMILES for (2R)-2-[hydroxy(diphenyl)methyl]pyrrolidine-1-sulfonic acid is O=S(=O)(O)N1CCC[C@@H]1C(O)(c1ccccc1)c1ccccc1.
What is the InChIKey of (2R)-2-[hydroxy(diphenyl)methyl]pyrrolidine-1-sulfonic acid?
The InChIKey is PTMUNQVTYYQRGB-MRXNPFEDSA-N. The full InChI is InChI=1S/C17H19NO4S/c19-17(14-8-3-1-4-9-14,15-10-5-2-6-11-15)16-12-7-13-18(16)23(20,21)22/h1-6,8-11,16,19H,7,12-13H2,(H,20,21,22)/t16-/m1/s1.
What are the key properties of (2R)-2-[hydroxy(diphenyl)methyl]pyrrolidine-1-sulfonic acid?
(2R)-2-[hydroxy(diphenyl)methyl]pyrrolidine-1-sulfonic acid has a molecular weight of 333.41 g/mol, XLogP of 2.19, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-2-[hydroxy(diphenyl)methyl]pyrrolidine-1-sulfonic acid is sourced from PubChem (CID 71426341), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).