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

C9H17NO4 — CID 70257535

IUPAC(2S,3S,4R,5R)-2-[(1S)-1-hydroxybut-3-enyl]-5-(hydroxymethyl)pyrrolidine-3,4-diol
SMILESC=CC[C@H](O)[C@@H]1N[C@H](CO)[C@@H](O)[C@H]1O
InChIInChI=1S/C9H17NO4/c1-2-3-6(12)7-9(14)8(13)5(4-11)10-7/h2,5-14H,1,3-4H2/t5-,6+,7+,8-,9+/m1/s1
InChIKeyYSTWWJJNCXAVAE-NXRLNHOXSA-N
MW203.24 g/mol
LogP-2.02
Rot. Bonds4

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

(2S,3S,4R,5R)-2-[(1S)-1-hydroxybut-3-enyl]-5-(hydroxymethyl)pyrrolidine-3,4-diol (PubChem CID 70257535) has the molecular formula C9H17NO4 and a molecular weight of 203.24 g/mol. Its IUPAC name is (2S,3S,4R,5R)-2-[(1S)-1-hydroxybut-3-enyl]-5-(hydroxymethyl)pyrrolidine-3,4-diol.

Molecular Properties

Compound Name(2S,3S,4R,5R)-2-[(1S)-1-hydroxybut-3-enyl]-5-(hydroxymethyl)pyrrolidine-3,4-diol
PubChem CID70257535
Molecular FormulaC9H17NO4
Molecular Weight203.24 g/mol
Exact Mass203.12
IUPAC Name(2S,3S,4R,5R)-2-[(1S)-1-hydroxybut-3-enyl]-5-(hydroxymethyl)pyrrolidine-3,4-diol
SMILESC=CC[C@H](O)[C@@H]1N[C@H](CO)[C@@H](O)[C@H]1O
InChIInChI=1S/C9H17NO4/c1-2-3-6(12)7-9(14)8(13)5(4-11)10-7/h2,5-14H,1,3-4H2/t5-,6+,7+,8-,9+/m1/s1
InChIKeyYSTWWJJNCXAVAE-NXRLNHOXSA-N
XLogP-2.02
TPSA92.95 Ų
H-Bond Donors5
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500203.24
LogP ≤ 5-2.02
H-Bond Donors ≤ 55
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

Analyze (2S,3S,4R,5R)-2-[(1S)-1-hydroxybut-3-enyl]-5-(hydroxymethyl)pyrrolidine-3,4-diol with MolForge

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

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of (2S,3S,4R,5R)-2-[(1S)-1-hydroxybut-3-enyl]-5-(hydroxymethyl)pyrrolidine-3,4-diol?
The IUPAC name of (2S,3S,4R,5R)-2-[(1S)-1-hydroxybut-3-enyl]-5-(hydroxymethyl)pyrrolidine-3,4-diol (CID 70257535) is (2S,3S,4R,5R)-2-[(1S)-1-hydroxybut-3-enyl]-5-(hydroxymethyl)pyrrolidine-3,4-diol.
What is the SMILES notation for (2S,3S,4R,5R)-2-[(1S)-1-hydroxybut-3-enyl]-5-(hydroxymethyl)pyrrolidine-3,4-diol?
The canonical SMILES for (2S,3S,4R,5R)-2-[(1S)-1-hydroxybut-3-enyl]-5-(hydroxymethyl)pyrrolidine-3,4-diol is C=CC[C@H](O)[C@@H]1N[C@H](CO)[C@@H](O)[C@H]1O.
What is the InChIKey of (2S,3S,4R,5R)-2-[(1S)-1-hydroxybut-3-enyl]-5-(hydroxymethyl)pyrrolidine-3,4-diol?
The InChIKey is YSTWWJJNCXAVAE-NXRLNHOXSA-N. The full InChI is InChI=1S/C9H17NO4/c1-2-3-6(12)7-9(14)8(13)5(4-11)10-7/h2,5-14H,1,3-4H2/t5-,6+,7+,8-,9+/m1/s1.
What are the key properties of (2S,3S,4R,5R)-2-[(1S)-1-hydroxybut-3-enyl]-5-(hydroxymethyl)pyrrolidine-3,4-diol?
(2S,3S,4R,5R)-2-[(1S)-1-hydroxybut-3-enyl]-5-(hydroxymethyl)pyrrolidine-3,4-diol has a molecular weight of 203.24 g/mol, XLogP of -2.02, 4 rotatable bonds, 5 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (2S,3S,4R,5R)-2-[(1S)-1-hydroxybut-3-enyl]-5-(hydroxymethyl)pyrrolidine-3,4-diol is sourced from PubChem (CID 70257535), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).