(2S,3S,4S)-2-phenylpyrrolidine-3,4-diol

C10H13NO2 — CID 10856057

IUPAC(2S,3S,4S)-2-phenylpyrrolidine-3,4-diol
SMILESO[C@@H]1[C@@H](O)CN[C@H]1c1ccccc1
InChIInChI=1S/C10H13NO2/c12-8-6-11-9(10(8)13)7-4-2-1-3-5-7/h1-5,8-13H,6H2/t8-,9-,10+/m0/s1
InChIKeyZYKVHGYTSPUHNA-LPEHRKFASA-N
MW179.22 g/mol
LogP0.05
Rot. Bonds1

About (2S,3S,4S)-2-phenylpyrrolidine-3,4-diol

(2S,3S,4S)-2-phenylpyrrolidine-3,4-diol (PubChem CID 10856057) has the molecular formula C10H13NO2 and a molecular weight of 179.22 g/mol. Its IUPAC name is (2S,3S,4S)-2-phenylpyrrolidine-3,4-diol.

Molecular Properties

Compound Name(2S,3S,4S)-2-phenylpyrrolidine-3,4-diol
PubChem CID10856057
Molecular FormulaC10H13NO2
Molecular Weight179.22 g/mol
Exact Mass179.09
IUPAC Name(2S,3S,4S)-2-phenylpyrrolidine-3,4-diol
SMILESO[C@@H]1[C@@H](O)CN[C@H]1c1ccccc1
InChIInChI=1S/C10H13NO2/c12-8-6-11-9(10(8)13)7-4-2-1-3-5-7/h1-5,8-13H,6H2/t8-,9-,10+/m0/s1
InChIKeyZYKVHGYTSPUHNA-LPEHRKFASA-N
XLogP0.05
TPSA52.49 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500179.22
LogP ≤ 50.05
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of (2S,3S,4S)-2-phenylpyrrolidine-3,4-diol?
The IUPAC name of (2S,3S,4S)-2-phenylpyrrolidine-3,4-diol (CID 10856057) is (2S,3S,4S)-2-phenylpyrrolidine-3,4-diol.
What is the SMILES notation for (2S,3S,4S)-2-phenylpyrrolidine-3,4-diol?
The canonical SMILES for (2S,3S,4S)-2-phenylpyrrolidine-3,4-diol is O[C@@H]1[C@@H](O)CN[C@H]1c1ccccc1.
What is the InChIKey of (2S,3S,4S)-2-phenylpyrrolidine-3,4-diol?
The InChIKey is ZYKVHGYTSPUHNA-LPEHRKFASA-N. The full InChI is InChI=1S/C10H13NO2/c12-8-6-11-9(10(8)13)7-4-2-1-3-5-7/h1-5,8-13H,6H2/t8-,9-,10+/m0/s1.
What are the key properties of (2S,3S,4S)-2-phenylpyrrolidine-3,4-diol?
(2S,3S,4S)-2-phenylpyrrolidine-3,4-diol has a molecular weight of 179.22 g/mol, XLogP of 0.05, 1 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2S,3S,4S)-2-phenylpyrrolidine-3,4-diol is sourced from PubChem (CID 10856057), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).