(2S,3R)-2-aminopent-4-ene-1,3-diol

C5H11NO2 — CID 55291498

IUPAC(2S,3R)-2-aminopent-4-ene-1,3-diol
SMILESC=C[C@@H](O)[C@@H](N)CO
InChIInChI=1S/C5H11NO2/c1-2-5(8)4(6)3-7/h2,4-5,7-8H,1,3,6H2/t4-,5+/m0/s1
InChIKeyYYAPFWJOYCVYIV-CRCLSJGQSA-N
MW117.15 g/mol
LogP-1.15
Rot. Bonds3

About (2S,3R)-2-aminopent-4-ene-1,3-diol

(2S,3R)-2-aminopent-4-ene-1,3-diol (PubChem CID 55291498) has the molecular formula C5H11NO2 and a molecular weight of 117.15 g/mol. Its IUPAC name is (2S,3R)-2-aminopent-4-ene-1,3-diol.

Molecular Properties

Compound Name(2S,3R)-2-aminopent-4-ene-1,3-diol
PubChem CID55291498
Molecular FormulaC5H11NO2
Molecular Weight117.15 g/mol
Exact Mass117.08
IUPAC Name(2S,3R)-2-aminopent-4-ene-1,3-diol
SMILESC=C[C@@H](O)[C@@H](N)CO
InChIInChI=1S/C5H11NO2/c1-2-5(8)4(6)3-7/h2,4-5,7-8H,1,3,6H2/t4-,5+/m0/s1
InChIKeyYYAPFWJOYCVYIV-CRCLSJGQSA-N
XLogP-1.15
TPSA66.48 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms8
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500117.15
LogP ≤ 5-1.15
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

Analyze (2S,3R)-2-aminopent-4-ene-1,3-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,3R)-2-aminopent-4-ene-1,3-diol?
The IUPAC name of (2S,3R)-2-aminopent-4-ene-1,3-diol (CID 55291498) is (2S,3R)-2-aminopent-4-ene-1,3-diol.
What is the SMILES notation for (2S,3R)-2-aminopent-4-ene-1,3-diol?
The canonical SMILES for (2S,3R)-2-aminopent-4-ene-1,3-diol is C=C[C@@H](O)[C@@H](N)CO.
What is the InChIKey of (2S,3R)-2-aminopent-4-ene-1,3-diol?
The InChIKey is YYAPFWJOYCVYIV-CRCLSJGQSA-N. The full InChI is InChI=1S/C5H11NO2/c1-2-5(8)4(6)3-7/h2,4-5,7-8H,1,3,6H2/t4-,5+/m0/s1.
What are the key properties of (2S,3R)-2-aminopent-4-ene-1,3-diol?
(2S,3R)-2-aminopent-4-ene-1,3-diol has a molecular weight of 117.15 g/mol, XLogP of -1.15, 3 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2S,3R)-2-aminopent-4-ene-1,3-diol is sourced from PubChem (CID 55291498), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).