(E,2S)-4-aminobut-3-en-2-ol

C4H9NO — CID 144974174

IUPAC(E,2S)-4-aminobut-3-en-2-ol
SMILESC[C@H](O)/C=C/N
InChIInChI=1S/C4H9NO/c1-4(6)2-3-5/h2-4,6H,5H2,1H3/b3-2+/t4-/m0/s1
InChIKeyFDGUCVKKJSLXDE-ZPYNKGFJSA-N
MW87.12 g/mol
LogP-0.16
Rot. Bonds1

About (E,2S)-4-aminobut-3-en-2-ol

(E,2S)-4-aminobut-3-en-2-ol (PubChem CID 144974174) has the molecular formula C4H9NO and a molecular weight of 87.12 g/mol. Its IUPAC name is (E,2S)-4-aminobut-3-en-2-ol.

Molecular Properties

Compound Name(E,2S)-4-aminobut-3-en-2-ol
PubChem CID144974174
Molecular FormulaC4H9NO
Molecular Weight87.12 g/mol
Exact Mass87.07
IUPAC Name(E,2S)-4-aminobut-3-en-2-ol
SMILESC[C@H](O)/C=C/N
InChIInChI=1S/C4H9NO/c1-4(6)2-3-5/h2-4,6H,5H2,1H3/b3-2+/t4-/m0/s1
InChIKeyFDGUCVKKJSLXDE-ZPYNKGFJSA-N
XLogP-0.16
TPSA46.25 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms6
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 50087.12
LogP ≤ 5-0.16
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Analyze (E,2S)-4-aminobut-3-en-2-ol 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 (E,2S)-4-aminobut-3-en-2-ol?
The IUPAC name of (E,2S)-4-aminobut-3-en-2-ol (CID 144974174) is (E,2S)-4-aminobut-3-en-2-ol.
What is the SMILES notation for (E,2S)-4-aminobut-3-en-2-ol?
The canonical SMILES for (E,2S)-4-aminobut-3-en-2-ol is C[C@H](O)/C=C/N.
What is the InChIKey of (E,2S)-4-aminobut-3-en-2-ol?
The InChIKey is FDGUCVKKJSLXDE-ZPYNKGFJSA-N. The full InChI is InChI=1S/C4H9NO/c1-4(6)2-3-5/h2-4,6H,5H2,1H3/b3-2+/t4-/m0/s1.
What are the key properties of (E,2S)-4-aminobut-3-en-2-ol?
(E,2S)-4-aminobut-3-en-2-ol has a molecular weight of 87.12 g/mol, XLogP of -0.16, 1 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (E,2S)-4-aminobut-3-en-2-ol is sourced from PubChem (CID 144974174), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).