(2S,3S,4S,5R)-2-[(1S)-1,2-dihydroxyethyl]-5-[(E)-prop-1-enyl]pyrrolidine-3,4-diol

C9H17NO4 — CID 24859071

IUPAC(2S,3S,4S,5R)-2-[(1S)-1,2-dihydroxyethyl]-5-[(E)-prop-1-enyl]pyrrolidine-3,4-diol
SMILESC/C=C/[C@H]1N[C@@H]([C@H](O)CO)[C@H](O)[C@H]1O
InChIInChI=1S/C9H17NO4/c1-2-3-5-8(13)9(14)7(10-5)6(12)4-11/h2-3,5-14H,4H2,1H3/b3-2+/t5-,6-,7+,8+,9+/m1/s1
InChIKeyLDKCCZRGWQYWLK-PZIXBQMHSA-N
MW203.24 g/mol
LogP-2.02
Rot. Bonds3

About (2S,3S,4S,5R)-2-[(1S)-1,2-dihydroxyethyl]-5-[(E)-prop-1-enyl]pyrrolidine-3,4-diol

(2S,3S,4S,5R)-2-[(1S)-1,2-dihydroxyethyl]-5-[(E)-prop-1-enyl]pyrrolidine-3,4-diol (PubChem CID 24859071) has the molecular formula C9H17NO4 and a molecular weight of 203.24 g/mol. Its IUPAC name is (2S,3S,4S,5R)-2-[(1S)-1,2-dihydroxyethyl]-5-[(E)-prop-1-enyl]pyrrolidine-3,4-diol.

Molecular Properties

Compound Name(2S,3S,4S,5R)-2-[(1S)-1,2-dihydroxyethyl]-5-[(E)-prop-1-enyl]pyrrolidine-3,4-diol
PubChem CID24859071
Molecular FormulaC9H17NO4
Molecular Weight203.24 g/mol
Exact Mass203.12
IUPAC Name(2S,3S,4S,5R)-2-[(1S)-1,2-dihydroxyethyl]-5-[(E)-prop-1-enyl]pyrrolidine-3,4-diol
SMILESC/C=C/[C@H]1N[C@@H]([C@H](O)CO)[C@H](O)[C@H]1O
InChIInChI=1S/C9H17NO4/c1-2-3-5-8(13)9(14)7(10-5)6(12)4-11/h2-3,5-14H,4H2,1H3/b3-2+/t5-,6-,7+,8+,9+/m1/s1
InChIKeyLDKCCZRGWQYWLK-PZIXBQMHSA-N
XLogP-2.02
TPSA92.95 Ų
H-Bond Donors5
H-Bond Acceptors5
Rotatable Bonds3
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,4S,5R)-2-[(1S)-1,2-dihydroxyethyl]-5-[(E)-prop-1-enyl]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,4S,5R)-2-[(1S)-1,2-dihydroxyethyl]-5-[(E)-prop-1-enyl]pyrrolidine-3,4-diol?
The IUPAC name of (2S,3S,4S,5R)-2-[(1S)-1,2-dihydroxyethyl]-5-[(E)-prop-1-enyl]pyrrolidine-3,4-diol (CID 24859071) is (2S,3S,4S,5R)-2-[(1S)-1,2-dihydroxyethyl]-5-[(E)-prop-1-enyl]pyrrolidine-3,4-diol.
What is the SMILES notation for (2S,3S,4S,5R)-2-[(1S)-1,2-dihydroxyethyl]-5-[(E)-prop-1-enyl]pyrrolidine-3,4-diol?
The canonical SMILES for (2S,3S,4S,5R)-2-[(1S)-1,2-dihydroxyethyl]-5-[(E)-prop-1-enyl]pyrrolidine-3,4-diol is C/C=C/[C@H]1N[C@@H]([C@H](O)CO)[C@H](O)[C@H]1O.
What is the InChIKey of (2S,3S,4S,5R)-2-[(1S)-1,2-dihydroxyethyl]-5-[(E)-prop-1-enyl]pyrrolidine-3,4-diol?
The InChIKey is LDKCCZRGWQYWLK-PZIXBQMHSA-N. The full InChI is InChI=1S/C9H17NO4/c1-2-3-5-8(13)9(14)7(10-5)6(12)4-11/h2-3,5-14H,4H2,1H3/b3-2+/t5-,6-,7+,8+,9+/m1/s1.
What are the key properties of (2S,3S,4S,5R)-2-[(1S)-1,2-dihydroxyethyl]-5-[(E)-prop-1-enyl]pyrrolidine-3,4-diol?
(2S,3S,4S,5R)-2-[(1S)-1,2-dihydroxyethyl]-5-[(E)-prop-1-enyl]pyrrolidine-3,4-diol has a molecular weight of 203.24 g/mol, XLogP of -2.02, 3 rotatable bonds, 5 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (2S,3S,4S,5R)-2-[(1S)-1,2-dihydroxyethyl]-5-[(E)-prop-1-enyl]pyrrolidine-3,4-diol is sourced from PubChem (CID 24859071), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).