(2S,3R,4R,5R)-2-[(1R)-1,2-dihydroxyethyl]-1-ethyl-5-(hydroxymethyl)pyrrolidine-3,4-diol

C9H19NO5 — CID 58948084

IUPAC(2S,3R,4R,5R)-2-[(1R)-1,2-dihydroxyethyl]-1-ethyl-5-(hydroxymethyl)pyrrolidine-3,4-diol
SMILESCCN1[C@@H]([C@@H](O)CO)[C@@H](O)[C@H](O)[C@H]1CO
InChIInChI=1S/C9H19NO5/c1-2-10-5(3-11)8(14)9(15)7(10)6(13)4-12/h5-9,11-15H,2-4H2,1H3/t5-,6+,7+,8-,9-/m1/s1
InChIKeyMLPZKTZTGPXOIZ-QMGXLNLGSA-N
MW221.25 g/mol
LogP-2.87
Rot. Bonds4

About (2S,3R,4R,5R)-2-[(1R)-1,2-dihydroxyethyl]-1-ethyl-5-(hydroxymethyl)pyrrolidine-3,4-diol

(2S,3R,4R,5R)-2-[(1R)-1,2-dihydroxyethyl]-1-ethyl-5-(hydroxymethyl)pyrrolidine-3,4-diol (PubChem CID 58948084) has the molecular formula C9H19NO5 and a molecular weight of 221.25 g/mol. Its IUPAC name is (2S,3R,4R,5R)-2-[(1R)-1,2-dihydroxyethyl]-1-ethyl-5-(hydroxymethyl)pyrrolidine-3,4-diol.

Molecular Properties

Compound Name(2S,3R,4R,5R)-2-[(1R)-1,2-dihydroxyethyl]-1-ethyl-5-(hydroxymethyl)pyrrolidine-3,4-diol
PubChem CID58948084
Molecular FormulaC9H19NO5
Molecular Weight221.25 g/mol
Exact Mass221.13
IUPAC Name(2S,3R,4R,5R)-2-[(1R)-1,2-dihydroxyethyl]-1-ethyl-5-(hydroxymethyl)pyrrolidine-3,4-diol
SMILESCCN1[C@@H]([C@@H](O)CO)[C@@H](O)[C@H](O)[C@H]1CO
InChIInChI=1S/C9H19NO5/c1-2-10-5(3-11)8(14)9(15)7(10)6(13)4-12/h5-9,11-15H,2-4H2,1H3/t5-,6+,7+,8-,9-/m1/s1
InChIKeyMLPZKTZTGPXOIZ-QMGXLNLGSA-N
XLogP-2.87
TPSA104.39 Ų
H-Bond Donors5
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500221.25
LogP ≤ 5-2.87
H-Bond Donors ≤ 55
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of (2S,3R,4R,5R)-2-[(1R)-1,2-dihydroxyethyl]-1-ethyl-5-(hydroxymethyl)pyrrolidine-3,4-diol?
The IUPAC name of (2S,3R,4R,5R)-2-[(1R)-1,2-dihydroxyethyl]-1-ethyl-5-(hydroxymethyl)pyrrolidine-3,4-diol (CID 58948084) is (2S,3R,4R,5R)-2-[(1R)-1,2-dihydroxyethyl]-1-ethyl-5-(hydroxymethyl)pyrrolidine-3,4-diol.
What is the SMILES notation for (2S,3R,4R,5R)-2-[(1R)-1,2-dihydroxyethyl]-1-ethyl-5-(hydroxymethyl)pyrrolidine-3,4-diol?
The canonical SMILES for (2S,3R,4R,5R)-2-[(1R)-1,2-dihydroxyethyl]-1-ethyl-5-(hydroxymethyl)pyrrolidine-3,4-diol is CCN1[C@@H]([C@@H](O)CO)[C@@H](O)[C@H](O)[C@H]1CO.
What is the InChIKey of (2S,3R,4R,5R)-2-[(1R)-1,2-dihydroxyethyl]-1-ethyl-5-(hydroxymethyl)pyrrolidine-3,4-diol?
The InChIKey is MLPZKTZTGPXOIZ-QMGXLNLGSA-N. The full InChI is InChI=1S/C9H19NO5/c1-2-10-5(3-11)8(14)9(15)7(10)6(13)4-12/h5-9,11-15H,2-4H2,1H3/t5-,6+,7+,8-,9-/m1/s1.
What are the key properties of (2S,3R,4R,5R)-2-[(1R)-1,2-dihydroxyethyl]-1-ethyl-5-(hydroxymethyl)pyrrolidine-3,4-diol?
(2S,3R,4R,5R)-2-[(1R)-1,2-dihydroxyethyl]-1-ethyl-5-(hydroxymethyl)pyrrolidine-3,4-diol has a molecular weight of 221.25 g/mol, XLogP of -2.87, 4 rotatable bonds, 5 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for (2S,3R,4R,5R)-2-[(1R)-1,2-dihydroxyethyl]-1-ethyl-5-(hydroxymethyl)pyrrolidine-3,4-diol is sourced from PubChem (CID 58948084), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).