(2R,3S,5S)-2-[(E)-2-hydroxyethenyl]-5-(hydroxymethyl)pyrrolidin-3-ol

C7H13NO3 — CID 134574117

IUPAC(2R,3S,5S)-2-[(E)-2-hydroxyethenyl]-5-(hydroxymethyl)pyrrolidin-3-ol
SMILESO/C=C/[C@H]1N[C@H](CO)C[C@@H]1O
InChIInChI=1S/C7H13NO3/c9-2-1-6-7(11)3-5(4-10)8-6/h1-2,5-11H,3-4H2/b2-1+/t5-,6+,7-/m0/s1
InChIKeyXMVBVWYGDCBJIU-LQLOQVHASA-N
MW159.18 g/mol
LogP-0.86
Rot. Bonds2

About (2R,3S,5S)-2-[(E)-2-hydroxyethenyl]-5-(hydroxymethyl)pyrrolidin-3-ol

(2R,3S,5S)-2-[(E)-2-hydroxyethenyl]-5-(hydroxymethyl)pyrrolidin-3-ol (PubChem CID 134574117) has the molecular formula C7H13NO3 and a molecular weight of 159.18 g/mol. Its IUPAC name is (2R,3S,5S)-2-[(E)-2-hydroxyethenyl]-5-(hydroxymethyl)pyrrolidin-3-ol.

Molecular Properties

Compound Name(2R,3S,5S)-2-[(E)-2-hydroxyethenyl]-5-(hydroxymethyl)pyrrolidin-3-ol
PubChem CID134574117
Molecular FormulaC7H13NO3
Molecular Weight159.18 g/mol
Exact Mass159.09
IUPAC Name(2R,3S,5S)-2-[(E)-2-hydroxyethenyl]-5-(hydroxymethyl)pyrrolidin-3-ol
SMILESO/C=C/[C@H]1N[C@H](CO)C[C@@H]1O
InChIInChI=1S/C7H13NO3/c9-2-1-6-7(11)3-5(4-10)8-6/h1-2,5-11H,3-4H2/b2-1+/t5-,6+,7-/m0/s1
InChIKeyXMVBVWYGDCBJIU-LQLOQVHASA-N
XLogP-0.86
TPSA72.72 Ų
H-Bond Donors4
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500159.18
LogP ≤ 5-0.86
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'acyclic_C=C-O', 'substructure': 'N/A'}

Analyze (2R,3S,5S)-2-[(E)-2-hydroxyethenyl]-5-(hydroxymethyl)pyrrolidin-3-ol with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

(1R)-1-[(2S,5R)-5-(hydroxymethyl)pyrrolidin-2-yl]pent-4-en-1-ol
CID 134855574
Iruleixilfztee-jgvffnpusa-
CID 11355528
5-Ethenylpyrrolidin-3-ol
CID 54557774
(3S,5S)-5-(1-hydroxyethenyl)pyrrolidin-3-ol
CID 70259523
(5S)-5-(1-hydroxyethenyl)pyrrolidin-3-ol
CID 70306807
(3R,5S)-5-(1-hydroxyethenyl)pyrrolidin-3-ol
CID 89001665
(3R,5R)-5-prop-2-enylpyrrolidin-3-ol
CID 96005172
(1S)-1-pyrrolidin-2-ylbut-3-en-1-ol
CID 173161895
5-Prop-2-enylpyrrolidin-3-ol
CID 12791695
(3R,5S)-5-ethenylpyrrolidin-3-ol
CID 55274460
(3S,5S)-5-ethenylpyrrolidin-3-ol
CID 55300510
(3R,5S)-5-prop-2-enylpyrrolidin-3-ol
CID 55300778

Frequently Asked Questions

What is the IUPAC name of (2R,3S,5S)-2-[(E)-2-hydroxyethenyl]-5-(hydroxymethyl)pyrrolidin-3-ol?
The IUPAC name of (2R,3S,5S)-2-[(E)-2-hydroxyethenyl]-5-(hydroxymethyl)pyrrolidin-3-ol (CID 134574117) is (2R,3S,5S)-2-[(E)-2-hydroxyethenyl]-5-(hydroxymethyl)pyrrolidin-3-ol.
What is the SMILES notation for (2R,3S,5S)-2-[(E)-2-hydroxyethenyl]-5-(hydroxymethyl)pyrrolidin-3-ol?
The canonical SMILES for (2R,3S,5S)-2-[(E)-2-hydroxyethenyl]-5-(hydroxymethyl)pyrrolidin-3-ol is O/C=C/[C@H]1N[C@H](CO)C[C@@H]1O.
What is the InChIKey of (2R,3S,5S)-2-[(E)-2-hydroxyethenyl]-5-(hydroxymethyl)pyrrolidin-3-ol?
The InChIKey is XMVBVWYGDCBJIU-LQLOQVHASA-N. The full InChI is InChI=1S/C7H13NO3/c9-2-1-6-7(11)3-5(4-10)8-6/h1-2,5-11H,3-4H2/b2-1+/t5-,6+,7-/m0/s1.
What are the key properties of (2R,3S,5S)-2-[(E)-2-hydroxyethenyl]-5-(hydroxymethyl)pyrrolidin-3-ol?
(2R,3S,5S)-2-[(E)-2-hydroxyethenyl]-5-(hydroxymethyl)pyrrolidin-3-ol has a molecular weight of 159.18 g/mol, XLogP of -0.86, 2 rotatable bonds, 4 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (2R,3S,5S)-2-[(E)-2-hydroxyethenyl]-5-(hydroxymethyl)pyrrolidin-3-ol is sourced from PubChem (CID 134574117), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).