(2S,3R,4R)-2-(2-hydroxyethyl)pyrrolidine-3,4-diol

C6H13NO3 — CID 11286549

IUPAC(2S,3R,4R)-2-(2-hydroxyethyl)pyrrolidine-3,4-diol
SMILESOCC[C@@H]1NC[C@@H](O)[C@@H]1O
InChIInChI=1S/C6H13NO3/c8-2-1-4-6(10)5(9)3-7-4/h4-10H,1-3H2/t4-,5+,6+/m0/s1
InChIKeyKHKQVMZXGURLQW-KVQBGUIXSA-N
MW147.17 g/mol
LogP-1.94
Rot. Bonds2

About (2S,3R,4R)-2-(2-hydroxyethyl)pyrrolidine-3,4-diol

(2S,3R,4R)-2-(2-hydroxyethyl)pyrrolidine-3,4-diol (PubChem CID 11286549) has the molecular formula C6H13NO3 and a molecular weight of 147.17 g/mol. Its IUPAC name is (2S,3R,4R)-2-(2-hydroxyethyl)pyrrolidine-3,4-diol.

Molecular Properties

Compound Name(2S,3R,4R)-2-(2-hydroxyethyl)pyrrolidine-3,4-diol
PubChem CID11286549
Molecular FormulaC6H13NO3
Molecular Weight147.17 g/mol
Exact Mass147.09
IUPAC Name(2S,3R,4R)-2-(2-hydroxyethyl)pyrrolidine-3,4-diol
SMILESOCC[C@@H]1NC[C@@H](O)[C@@H]1O
InChIInChI=1S/C6H13NO3/c8-2-1-4-6(10)5(9)3-7-4/h4-10H,1-3H2/t4-,5+,6+/m0/s1
InChIKeyKHKQVMZXGURLQW-KVQBGUIXSA-N
XLogP-1.94
TPSA72.72 Ų
H-Bond Donors4
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500147.17
LogP ≤ 5-1.94
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of (2S,3R,4R)-2-(2-hydroxyethyl)pyrrolidine-3,4-diol?
The IUPAC name of (2S,3R,4R)-2-(2-hydroxyethyl)pyrrolidine-3,4-diol (CID 11286549) is (2S,3R,4R)-2-(2-hydroxyethyl)pyrrolidine-3,4-diol.
What is the SMILES notation for (2S,3R,4R)-2-(2-hydroxyethyl)pyrrolidine-3,4-diol?
The canonical SMILES for (2S,3R,4R)-2-(2-hydroxyethyl)pyrrolidine-3,4-diol is OCC[C@@H]1NC[C@@H](O)[C@@H]1O.
What is the InChIKey of (2S,3R,4R)-2-(2-hydroxyethyl)pyrrolidine-3,4-diol?
The InChIKey is KHKQVMZXGURLQW-KVQBGUIXSA-N. The full InChI is InChI=1S/C6H13NO3/c8-2-1-4-6(10)5(9)3-7-4/h4-10H,1-3H2/t4-,5+,6+/m0/s1.
What are the key properties of (2S,3R,4R)-2-(2-hydroxyethyl)pyrrolidine-3,4-diol?
(2S,3R,4R)-2-(2-hydroxyethyl)pyrrolidine-3,4-diol has a molecular weight of 147.17 g/mol, XLogP of -1.94, 2 rotatable bonds, 4 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (2S,3R,4R)-2-(2-hydroxyethyl)pyrrolidine-3,4-diol is sourced from PubChem (CID 11286549), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).