(3S,4R)-1-(2-hydroxyethyl)-2-methylpyrrolidine-3,4-diol

C7H15NO3 — CID 130980737

IUPAC(3S,4R)-1-(2-hydroxyethyl)-2-methylpyrrolidine-3,4-diol
SMILESCC1[C@H](O)[C@H](O)CN1CCO
InChIInChI=1S/C7H15NO3/c1-5-7(11)6(10)4-8(5)2-3-9/h5-7,9-11H,2-4H2,1H3/t5?,6-,7+/m1/s1
InChIKeyQQOCDDDXBXGAFR-FWPZAIACSA-N
MW161.20 g/mol
LogP-1.60
Rot. Bonds2

About (3S,4R)-1-(2-hydroxyethyl)-2-methylpyrrolidine-3,4-diol

(3S,4R)-1-(2-hydroxyethyl)-2-methylpyrrolidine-3,4-diol (PubChem CID 130980737) has the molecular formula C7H15NO3 and a molecular weight of 161.20 g/mol. Its IUPAC name is (3S,4R)-1-(2-hydroxyethyl)-2-methylpyrrolidine-3,4-diol.

Molecular Properties

Compound Name(3S,4R)-1-(2-hydroxyethyl)-2-methylpyrrolidine-3,4-diol
PubChem CID130980737
Molecular FormulaC7H15NO3
Molecular Weight161.20 g/mol
Exact Mass161.11
IUPAC Name(3S,4R)-1-(2-hydroxyethyl)-2-methylpyrrolidine-3,4-diol
SMILESCC1[C@H](O)[C@H](O)CN1CCO
InChIInChI=1S/C7H15NO3/c1-5-7(11)6(10)4-8(5)2-3-9/h5-7,9-11H,2-4H2,1H3/t5?,6-,7+/m1/s1
InChIKeyQQOCDDDXBXGAFR-FWPZAIACSA-N
XLogP-1.60
TPSA63.93 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500161.20
LogP ≤ 5-1.60
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of (3S,4R)-1-(2-hydroxyethyl)-2-methylpyrrolidine-3,4-diol?
The IUPAC name of (3S,4R)-1-(2-hydroxyethyl)-2-methylpyrrolidine-3,4-diol (CID 130980737) is (3S,4R)-1-(2-hydroxyethyl)-2-methylpyrrolidine-3,4-diol.
What is the SMILES notation for (3S,4R)-1-(2-hydroxyethyl)-2-methylpyrrolidine-3,4-diol?
The canonical SMILES for (3S,4R)-1-(2-hydroxyethyl)-2-methylpyrrolidine-3,4-diol is CC1[C@H](O)[C@H](O)CN1CCO.
What is the InChIKey of (3S,4R)-1-(2-hydroxyethyl)-2-methylpyrrolidine-3,4-diol?
The InChIKey is QQOCDDDXBXGAFR-FWPZAIACSA-N. The full InChI is InChI=1S/C7H15NO3/c1-5-7(11)6(10)4-8(5)2-3-9/h5-7,9-11H,2-4H2,1H3/t5?,6-,7+/m1/s1.
What are the key properties of (3S,4R)-1-(2-hydroxyethyl)-2-methylpyrrolidine-3,4-diol?
(3S,4R)-1-(2-hydroxyethyl)-2-methylpyrrolidine-3,4-diol has a molecular weight of 161.20 g/mol, XLogP of -1.60, 2 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (3S,4R)-1-(2-hydroxyethyl)-2-methylpyrrolidine-3,4-diol is sourced from PubChem (CID 130980737), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).