(3S,4R)-2-[(1R)-1-hydroxyethyl]pyrrolidine-3,4-diol

C6H13NO3 — CID 101139975

IUPAC(3S,4R)-2-[(1R)-1-hydroxyethyl]pyrrolidine-3,4-diol
SMILESC[C@@H](O)C1NC[C@@H](O)[C@H]1O
InChIInChI=1S/C6H13NO3/c1-3(8)5-6(10)4(9)2-7-5/h3-10H,2H2,1H3/t3-,4-,5?,6-/m1/s1
InChIKeyHVRWFMCLXNLOCH-DUVQVXGLSA-N
MW147.17 g/mol
LogP-1.94
Rot. Bonds1

About (3S,4R)-2-[(1R)-1-hydroxyethyl]pyrrolidine-3,4-diol

(3S,4R)-2-[(1R)-1-hydroxyethyl]pyrrolidine-3,4-diol (PubChem CID 101139975) has the molecular formula C6H13NO3 and a molecular weight of 147.17 g/mol. Its IUPAC name is (3S,4R)-2-[(1R)-1-hydroxyethyl]pyrrolidine-3,4-diol.

Molecular Properties

Compound Name(3S,4R)-2-[(1R)-1-hydroxyethyl]pyrrolidine-3,4-diol
PubChem CID101139975
Molecular FormulaC6H13NO3
Molecular Weight147.17 g/mol
Exact Mass147.09
IUPAC Name(3S,4R)-2-[(1R)-1-hydroxyethyl]pyrrolidine-3,4-diol
SMILESC[C@@H](O)C1NC[C@@H](O)[C@H]1O
InChIInChI=1S/C6H13NO3/c1-3(8)5-6(10)4(9)2-7-5/h3-10H,2H2,1H3/t3-,4-,5?,6-/m1/s1
InChIKeyHVRWFMCLXNLOCH-DUVQVXGLSA-N
XLogP-1.94
TPSA72.72 Ų
H-Bond Donors4
H-Bond Acceptors4
Rotatable Bonds1
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 (3S,4R)-2-[(1R)-1-hydroxyethyl]pyrrolidine-3,4-diol?
The IUPAC name of (3S,4R)-2-[(1R)-1-hydroxyethyl]pyrrolidine-3,4-diol (CID 101139975) is (3S,4R)-2-[(1R)-1-hydroxyethyl]pyrrolidine-3,4-diol.
What is the SMILES notation for (3S,4R)-2-[(1R)-1-hydroxyethyl]pyrrolidine-3,4-diol?
The canonical SMILES for (3S,4R)-2-[(1R)-1-hydroxyethyl]pyrrolidine-3,4-diol is C[C@@H](O)C1NC[C@@H](O)[C@H]1O.
What is the InChIKey of (3S,4R)-2-[(1R)-1-hydroxyethyl]pyrrolidine-3,4-diol?
The InChIKey is HVRWFMCLXNLOCH-DUVQVXGLSA-N. The full InChI is InChI=1S/C6H13NO3/c1-3(8)5-6(10)4(9)2-7-5/h3-10H,2H2,1H3/t3-,4-,5?,6-/m1/s1.
What are the key properties of (3S,4R)-2-[(1R)-1-hydroxyethyl]pyrrolidine-3,4-diol?
(3S,4R)-2-[(1R)-1-hydroxyethyl]pyrrolidine-3,4-diol has a molecular weight of 147.17 g/mol, XLogP of -1.94, 1 rotatable bonds, 4 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (3S,4R)-2-[(1R)-1-hydroxyethyl]pyrrolidine-3,4-diol is sourced from PubChem (CID 101139975), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).